data_2lqr_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 2lqr _Structure_validation_residue.Date_analyzed 2016-10-07 loop_ _Residue_analysis_software.Software_ID _Residue_analysis_software.Software_label _Residue_analysis_software.Method_ID _Residue_analysis_software.Method_label _Residue_analysis_software.Entry_ID _Residue_analysis_software.Structure_validation_oneline_list_ID 1 MolProbity . . ? 1 2 CYRANGE . . ? 1 stop_ loop_ _Residue_analysis.ID _Residue_analysis.PDB_model_num _Residue_analysis.Hydrogen_positions _Residue_analysis.MolProbity_flips _Residue_analysis.Cyrange_core_flag _Residue_analysis.Two_letter_chain_ID _Residue_analysis.PDB_strand_ID _Residue_analysis.PDB_residue_no _Residue_analysis.PDB_ins_code _Residue_analysis.PDB_residue_name _Residue_analysis.Assembly_ID _Residue_analysis.Entity_assembly_ID _Residue_analysis.Entity_ID _Residue_analysis.Comp_ID _Residue_analysis.Comp_index_ID _Residue_analysis.Clash_value _Residue_analysis.Clash_source_PDB_atom_name _Residue_analysis.Clash_destination_PDB_atom_name _Residue_analysis.Clash_destination_PDB_strand_ID _Residue_analysis.Clash_destination_PDB_residue_no _Residue_analysis.Clash_destination_PDB_ins_code _Residue_analysis.Clash_destination_PDB_residue_name _Residue_analysis.Cbeta_deviation_value _Residue_analysis.Rotamer_score _Residue_analysis.Rotamer_name _Residue_analysis.Ramachandran_phi _Residue_analysis.Ramachandran_psi _Residue_analysis.Ramachandran_score _Residue_analysis.Ramachandran_evaluation _Residue_analysis.Ramachandran_type _Residue_analysis.Bond_outlier_count _Residue_analysis.Worst_bond _Residue_analysis.Worst_bond_value _Residue_analysis.Worst_bond_sigma _Residue_analysis.Angle_outlier_count _Residue_analysis.Worst_angle _Residue_analysis.Worst_angle_value _Residue_analysis.Worst_angle_sigma _Residue_analysis.RNA_phosphate_perpendicular_outlier _Residue_analysis.RNA_suitness_score _Residue_analysis.RNA_suite_conformer _Residue_analysis.RNA_suite_triage _Residue_analysis.Max_b_factor _Residue_analysis.Tau_angle _Residue_analysis.Omega_dihedral _Residue_analysis.Disulfide_chi1 _Residue_analysis.Disulfide_chi2 _Residue_analysis.Disulfide_chi3 _Residue_analysis.Disulfide_ss_angle _Residue_analysis.Disulfide_ss _Residue_analysis.Disulfide_ss_angle_prime _Residue_analysis.Disulfide_chi2prime _Residue_analysis.Disulfide_chi1prime _Residue_analysis.Outlier_count_separate_geometry _Residue_analysis.Outlier_count _Residue_analysis.Entry_ID _Residue_analysis.Structure_validation_residue_list_ID . 001 nuclear orig core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.457 -0.088 0 CA-C-O 120.799 0.333 . . . . 0.0 111.075 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 35.9 Cg_endo -65.28 141.53 69.09 Favored 'Trans proline' 0 N--CA 1.457 -0.668 0 C-N-CA 121.627 1.551 . . . . 0.0 111.211 -179.184 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 90.0 t80 -154.98 124.97 6.63 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.342 -0.39 . . . . 0.0 111.184 -179.1 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 90.7 m-85 -74.86 90.23 2.38 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.195 176.643 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 21.9 pt-20 -70.66 -14.67 62.56 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.053 -0.522 . . . . 0.0 111.208 176.248 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 12' ' ' MET . . . . . 0.402 ' HB3' ' HB3' ' A' ' 30' ' ' ARG . 64.5 ttp -139.36 103.63 4.78 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.28 167.423 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 98.7 mttt -88.58 163.58 15.78 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.223 -172.872 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 96.4 mt -78.74 166.85 22.01 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.267 173.355 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 63.9 pttt -133.51 179.82 5.98 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.335 179.209 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 18.6 t-160 -72.58 108.36 5.58 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.29 -0.414 . . . . 0.0 111.025 177.697 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 76.6 m-85 -97.87 147.55 24.33 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.323 -0.399 . . . . 0.0 111.282 -178.416 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 99.1 mttt -133.98 139.7 46.25 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.268 176.875 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 19' ' ' ILE . . . . . 0.406 HG13 ' N ' ' A' ' 20' ' ' PHE . 10.0 tp -148.83 151.85 12.74 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.201 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.071 -177.585 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 20' ' ' PHE . . . . . 0.406 ' N ' HG13 ' A' ' 19' ' ' ILE . 64.7 m-85 -78.98 145.99 33.63 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.245 172.955 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 88.5 tt0 -53.97 124.98 17.07 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.2 -178.226 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 102.52 -16.53 54.88 Favored Glycine 0 CA--C 1.524 0.63 0 N-CA-C 111.213 -0.755 . . . . 0.0 111.213 172.252 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 97.9 mmm -84.89 153.54 60.5 Favored Pre-proline 0 C--N 1.33 -0.253 0 CA-C-O 120.894 0.378 . . . . 0.0 111.285 -175.641 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 72.4 Cg_endo -75.68 153.59 38.71 Favored 'Trans proline' 0 C--N 1.328 -0.537 0 C-N-CA 121.595 1.53 . . . . 0.0 111.138 179.111 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 47.2 t -135.02 128.0 49.02 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.198 0 CA-C-N 116.054 -0.521 . . . . 0.0 111.07 178.467 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 84.8 m -120.73 125.04 46.63 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.033 178.823 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 37.0 p90 -149.94 158.75 44.48 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.082 -0.508 . . . . 0.0 111.122 176.043 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 11.4 t -151.97 157.79 42.23 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.154 -172.22 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 24.6 t -142.58 141.96 32.08 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.313 -0.403 . . . . 0.0 111.135 -176.488 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 30' ' ' ARG . . . . . 0.402 ' HB3' ' HB3' ' A' ' 12' ' ' MET . 57.6 ttt85 -121.88 136.33 54.92 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.33 -0.396 . . . . 0.0 111.2 -173.446 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 28.3 m -119.05 159.97 19.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.291 179.449 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -119.95 32.84 5.86 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.278 177.316 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -76.43 161.2 51.47 Favored Glycine 0 CA--C 1.522 0.471 0 N-CA-C 111.094 -0.802 . . . . 0.0 111.094 -176.438 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 34' ' ' ASN . . . . . 0.457 ' HA ' ' C ' ' A' ' 35' ' ' PRO . 54.1 t-20 -151.3 110.0 3.0 Favored Pre-proline 0 CA--C 1.51 -0.579 0 CA-C-O 121.14 0.495 . . . . 0.0 111.02 179.46 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 35' ' ' PRO . . . . . 0.457 ' C ' ' HA ' ' A' ' 34' ' ' ASN . 24.6 Cg_exo -74.87 164.8 87.45 Favored 'Cis proline' 0 N--CA 1.456 -0.686 0 C-N-CA 121.729 -2.196 . . . . 0.0 111.154 9.555 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 64.4 mmtt -52.91 119.01 14.94 Favored Pre-proline 0 C--N 1.332 -0.187 0 CA-C-N 116.026 -0.534 . . . . 0.0 111.123 179.516 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 37' ' ' PRO . . . . . 0.432 ' HA ' ' HB3' ' A' ' 86' ' ' ASN . 53.6 Cg_exo -57.24 148.07 72.69 Favored 'Trans proline' 0 N--CA 1.458 -0.576 0 C-N-CA 121.676 1.584 . . . . 0.0 111.158 -178.096 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 99.6 mttt -79.98 69.88 6.44 Favored 'General case' 0 C--N 1.332 -0.179 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.403 175.582 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 41.1 mm -42.63 121.68 0.43 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.054 -0.521 . . . . 0.0 111.128 -170.405 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 79.9 m-85 -109.53 141.6 41.78 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.217 174.645 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 41' ' ' TRP . . . . . . . . . . . . . 91.7 m95 -113.19 138.04 50.56 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 121.072 0.463 . . . . 0.0 111.114 175.235 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 35.5 p90 -153.83 146.18 23.93 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.066 -0.515 . . . . 0.0 111.326 172.072 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 12.5 tmtt? -110.28 110.0 20.65 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.207 -174.861 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 95.8 m-20 54.91 32.96 18.95 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.24 -176.245 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 95.2 0.75 63.15 Favored Glycine 0 CA--C 1.525 0.693 0 N-CA-C 111.102 -0.799 . . . . 0.0 111.102 176.869 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 97.1 mttt -95.02 100.58 12.39 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.756 0.313 . . . . 0.0 111.206 -179.182 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 66.4 tt0 -50.86 128.93 22.28 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.317 -0.402 . . . . 0.0 111.179 -177.983 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 95.8 mt -99.6 125.03 53.29 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.178 -178.393 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 30.7 t -86.85 133.27 39.82 Favored Pre-proline 0 C--N 1.326 -0.456 0 CA-C-N 116.31 -0.404 . . . . 0.0 111.24 174.331 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 55.5 Cg_exo -54.8 137.36 74.72 Favored 'Trans proline' 0 N--CA 1.457 -0.65 0 C-N-CA 121.688 1.592 . . . . 0.0 111.244 178.805 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 98.0 mttt 58.5 57.0 4.02 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.238 178.085 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 14.9 t -95.01 -161.6 0.87 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.097 -0.501 . . . . 0.0 111.186 178.813 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 99.5 m-20 -55.03 -45.41 75.18 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.192 -177.798 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 54' ' ' HIS . . . . . . . . . . . . . 99.5 m-70 -136.87 -5.04 1.94 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.355 -179.972 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 55' ' ' TYR . . . . . . . . . . . . . 22.0 m-30 -107.55 97.5 7.23 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.059 -172.772 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 97.4 m -98.49 121.2 40.14 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.227 179.726 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 98.4 mt -106.67 131.31 56.82 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.239 178.455 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 70.8 tp60 -130.05 109.64 11.01 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.292 -0.413 . . . . 0.0 111.142 173.212 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 80.9 mtm180 -102.61 111.26 23.5 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.272 -177.367 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 65.2 t0 -85.43 131.36 34.4 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.294 -0.412 . . . . 0.0 111.19 174.54 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 95.3 mt -65.38 -16.04 63.2 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.315 -177.146 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 24.4 t70 -62.15 -28.48 69.68 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.088 177.382 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 129.8 -0.42 5.79 Favored Glycine 0 CA--C 1.523 0.565 0 N-CA-C 111.125 -0.79 . . . . 0.0 111.125 175.359 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 98.0 m -106.55 122.25 45.93 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.783 0.325 . . . . 0.0 111.259 178.545 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 65' ' ' CYS . . . . . . . . . . . . . 89.1 m -121.39 138.99 54.02 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.077 177.623 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 49.5 m -120.01 146.75 45.57 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.212 -173.566 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 55.5 tp -128.72 120.04 25.73 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.034 -0.53 . . . . 0.0 111.154 173.859 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 83.3 t60 -110.62 128.76 55.82 Favored 'General case' 0 N--CA 1.455 -0.188 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.351 -177.858 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 97.9 m -100.36 116.65 32.83 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.187 171.719 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 80.4 m -64.03 -44.55 92.18 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.328 -175.467 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -143.11 88.02 2.01 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.101 -0.5 . . . . 0.0 111.14 -176.895 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 48.4 t -75.64 108.72 8.67 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.185 -176.486 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 57.9 p -109.74 -177.7 3.34 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.175 178.999 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 96.3 mt -63.01 -25.96 68.63 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.069 -0.514 . . . . 0.0 111.254 -177.522 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 99.8 m-20 -79.05 -17.41 55.28 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.12 175.609 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 67.8 m-20 -94.85 -13.53 25.43 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.309 178.069 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 56.7 t0 -58.21 126.27 26.79 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.247 172.771 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 161.44 -163.87 34.74 Favored Glycine 0 CA--C 1.523 0.558 0 N-CA-C 111.248 -0.741 . . . . 0.0 111.248 -178.374 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 73.2 m-80 -106.58 110.85 23.16 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.852 0.358 . . . . 0.0 111.072 -175.201 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 80' ' ' TYR . . . . . . . . . . . . . 61.2 m-85 -84.4 69.97 10.59 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.255 177.397 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 88.6 m -65.02 134.39 53.76 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.224 -172.782 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 2.7 tt -109.95 139.11 34.61 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.308 -0.406 . . . . 0.0 111.144 177.595 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 83' ' ' MET . . . . . . . . . . . . . 65.2 ttp -121.47 120.02 33.71 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.22 -176.076 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -90.02 71.64 7.43 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.222 177.673 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -83.39 119.74 25.01 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.246 -0.433 . . . . 0.0 111.194 -176.561 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 86' ' ' ASN . . . . . 0.516 ' CB ' ' CD ' ' A' ' 87' ' ' PRO . 27.5 p-10 -145.04 -179.65 0.99 Allowed Pre-proline 0 C--N 1.328 -0.332 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.084 174.458 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 87' ' ' PRO . . . . . 0.516 ' CD ' ' CB ' ' A' ' 86' ' ' ASN . 54.9 Cg_exo -61.45 -18.46 59.56 Favored 'Trans proline' 0 N--CA 1.456 -0.71 0 C-N-CA 121.728 1.619 . . . . 0.0 111.353 -174.14 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 96.0 mm-40 -100.16 9.95 42.01 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.983 -0.553 . . . . 0.0 111.229 -174.594 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 121.79 -168.37 14.54 Favored Glycine 0 CA--C 1.523 0.586 0 N-CA-C 111.283 -0.727 . . . . 0.0 111.283 178.407 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 40.9 ptt180 -144.92 146.98 32.24 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 120.693 0.282 . . . . 0.0 111.178 -177.799 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 52.3 t -135.23 135.75 51.96 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.388 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.199 176.816 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 73.7 m -103.07 141.12 36.37 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.225 -179.571 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 93' ' ' CYS . . . . . . . . . . . . . 45.9 t -136.02 135.06 39.15 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.295 -0.411 . . . . 0.0 111.362 173.643 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 89.0 m -77.41 125.42 29.31 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.302 -0.408 . . . . 0.0 111.22 -170.887 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -100.54 58.55 0.72 Allowed Glycine 0 CA--C 1.523 0.589 0 N-CA-C 111.158 -0.777 . . . . 0.0 111.158 175.921 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 80.6 ttt180 -58.39 124.58 20.01 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 120.665 0.269 . . . . 0.0 111.364 -173.857 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 58.8 tp -132.16 114.19 14.2 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.077 173.056 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 98' ' ' MET . . . . . . . . . . . . . 98.3 mmm -100.01 140.01 34.85 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.206 179.555 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 85.1 t -115.71 124.04 71.73 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.295 -0.411 . . . . 0.0 111.228 -176.075 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 52.5 tp60 . . . . . 0 C--N 1.329 -0.299 0 CA-C-O 121.062 0.458 . . . . 0.0 111.163 175.305 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.527 0.067 0 CA-C-O 120.676 0.274 . . . . 0.0 111.153 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 75.3 Cg_exo -54.32 129.83 36.65 Favored 'Trans proline' 0 C--N 1.328 -0.536 0 C-N-CA 121.606 1.537 . . . . 0.0 111.137 -179.896 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 92.3 t80 -155.08 126.39 7.27 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.922 0.391 . . . . 0.0 111.181 172.931 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 10' ' ' PHE . . . . . 0.401 ' CD1' ' SG ' ' A' ' 29' ' ' CYS . 66.3 m-85 -66.8 87.9 0.14 Allowed 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.224 -179.113 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 17.2 pt-20 -61.28 -24.93 66.76 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.134 -0.484 . . . . 0.0 111.34 176.146 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 12' ' ' MET . . . . . 0.404 ' O ' ' SG ' ' A' ' 29' ' ' CYS . 67.9 ttp -126.22 109.7 12.62 Favored 'General case' 0 C--N 1.332 -0.172 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.147 170.44 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 98.3 mttt -97.9 168.16 10.47 Favored 'General case' 0 C--O 1.233 0.235 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.229 -170.397 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 76.5 mt -88.72 160.17 17.45 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.233 -177.783 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 99.2 mttt -118.42 167.04 11.94 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.249 178.344 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 20.4 t-160 -65.33 111.27 2.95 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.099 174.704 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 71.8 m-85 -97.28 141.63 30.15 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.294 -0.412 . . . . 0.0 111.335 -175.122 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 96.4 mttt -131.01 102.63 6.12 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.315 -0.402 . . . . 0.0 111.18 177.9 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 19' ' ' ILE . . . . . 0.446 ' O ' ' HA ' ' A' ' 99' ' ' VAL . 47.5 mm -120.75 140.37 45.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.067 -172.017 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 66.4 m-85 -71.73 149.21 45.62 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.225 -177.345 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 88.1 tt0 -54.99 122.76 11.6 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.188 -179.837 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 90.6 -5.65 82.35 Favored Glycine 0 CA--C 1.524 0.599 0 N-CA-C 111.194 -0.762 . . . . 0.0 111.194 174.665 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 26.7 ttt -84.54 134.75 41.87 Favored Pre-proline 0 C--N 1.327 -0.388 0 CA-C-O 120.74 0.305 . . . . 0.0 111.248 -177.34 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 74.2 Cg_endo -70.83 149.31 59.84 Favored 'Trans proline' 0 C--N 1.326 -0.626 0 C-N-CA 121.619 1.546 . . . . 0.0 111.237 175.208 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 9.7 p -151.66 135.27 7.96 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.118 179.332 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 91.0 m -119.57 130.11 54.98 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.164 175.317 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 31.2 p90 -150.12 154.56 38.29 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.281 177.585 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 11.6 t -146.97 158.96 44.07 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.309 -0.405 . . . . 0.0 111.233 -165.35 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 29' ' ' CYS . . . . . 0.429 ' HB3' HD11 ' A' ' 82' ' ' ILE . 2.9 t -141.06 148.73 40.65 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.308 178.429 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 44.3 ttm180 -124.42 136.92 54.43 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.334 -0.393 . . . . 0.0 111.169 -171.805 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 91.2 t -116.5 129.55 72.78 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.417 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.175 -176.748 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -86.49 65.36 9.0 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.46 173.967 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -107.16 154.01 16.71 Favored Glycine 0 CA--C 1.521 0.451 0 N-CA-C 111.175 -0.77 . . . . 0.0 111.175 -174.643 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 34' ' ' ASN . . . . . 0.49 ' HA ' ' HA ' ' A' ' 35' ' ' PRO . 54.1 t-20 -158.07 108.15 1.73 Allowed Pre-proline 0 CA--C 1.51 -0.564 0 CA-C-O 121.067 0.461 . . . . 0.0 110.985 176.87 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 35' ' ' PRO . . . . . 0.49 ' HA ' ' HA ' ' A' ' 34' ' ' ASN . 23.1 Cg_exo -74.63 168.07 78.23 Favored 'Cis proline' 0 C--N 1.327 -0.596 0 C-N-CA 121.588 -2.255 . . . . 0.0 111.13 7.77 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 36' ' ' LYS . . . . . 0.467 ' HD2' ' N ' ' A' ' 36' ' ' LYS . 4.1 mptp? -59.96 117.43 23.4 Favored Pre-proline 0 C--N 1.333 -0.135 0 CA-C-N 115.949 -0.569 . . . . 0.0 111.159 -179.774 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 49.6 Cg_endo -73.63 169.11 23.1 Favored 'Trans proline' 0 N--CA 1.459 -0.53 0 C-N-CA 121.577 1.518 . . . . 0.0 111.204 -173.099 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 99.1 mttt -78.37 85.33 4.5 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.411 178.647 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 39' ' ' ILE . . . . . 0.455 HG12 ' HB3' ' A' ' 84' ' ' ALA . 42.5 mt -82.6 128.27 38.88 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.065 -176.52 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 39.1 p90 -148.51 160.54 42.97 Favored 'General case' 0 C--O 1.233 0.215 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.2 -177.556 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 41' ' ' TRP . . . . . . . . . . . . . 86.3 m95 -102.09 148.3 25.56 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 121.003 0.43 . . . . 0.0 111.09 177.429 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 46.4 p90 -149.84 145.99 26.88 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.002 -0.545 . . . . 0.0 111.223 165.058 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 13.4 tmtt? -110.54 110.04 20.61 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.162 -173.755 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 88.4 m-20 52.3 34.1 14.08 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.306 -0.407 . . . . 0.0 111.155 -177.861 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 98.91 -1.0 57.76 Favored Glycine 0 CA--C 1.527 0.819 0 N-CA-C 111.026 -0.83 . . . . 0.0 111.026 175.878 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 96.9 mttt -100.84 97.42 8.04 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.649 0.261 . . . . 0.0 111.097 -177.607 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 65.9 tt0 -52.92 129.88 31.71 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.202 -178.591 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 88.7 mt -95.03 125.02 47.77 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.237 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.169 -176.79 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 30.3 t -78.07 126.5 83.59 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.099 177.373 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 50.1 Cg_exo -55.19 143.54 74.52 Favored 'Trans proline' 0 N--CA 1.457 -0.662 0 C-N-CA 121.589 1.526 . . . . 0.0 111.241 177.265 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 98.1 mttt 56.41 47.57 18.67 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.301 175.419 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 54.1 p -88.66 -169.82 2.69 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.258 176.474 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 99.3 m-20 -60.09 -39.38 85.91 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.189 -175.783 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 54' ' ' HIS . . . . . . . . . . . . . 100.0 m-70 -133.02 -7.38 3.07 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.07 -0.514 . . . . 0.0 111.282 -171.444 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 55' ' ' TYR . . . . . . . . . . . . . 91.2 m-85 -125.18 105.79 9.41 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 121.114 0.483 . . . . 0.0 111.053 -177.713 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 96.2 m -103.61 124.3 48.55 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.047 -0.524 . . . . 0.0 111.191 178.198 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 93.2 mt -110.94 121.97 64.58 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.244 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.198 -178.706 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 71.7 tp60 -105.03 115.94 31.11 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.203 174.757 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 50.1 mtp180 -104.4 89.57 3.27 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.191 -173.99 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 66.2 t0 -65.23 124.49 22.32 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.323 -0.399 . . . . 0.0 111.166 175.614 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 95.6 mt -69.96 -9.52 55.4 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.154 -173.308 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 97.0 m-20 -69.69 -17.95 63.52 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.361 -0.381 . . . . 0.0 111.104 174.765 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 117.17 28.56 2.37 Favored Glycine 0 CA--C 1.523 0.586 0 N-CA-C 111.087 -0.805 . . . . 0.0 111.087 178.639 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 60.7 m -126.44 137.02 53.36 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-O 120.831 0.348 . . . . 0.0 111.235 179.837 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 65' ' ' CYS . . . . . . . . . . . . . 33.7 t -130.92 126.73 36.87 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.101 -179.201 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 34.2 t -116.85 135.63 53.58 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.229 -176.621 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 60.2 tp -113.16 123.08 49.4 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.103 -0.499 . . . . 0.0 111.112 178.164 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 68.8 t60 -108.93 122.51 47.37 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.277 175.115 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 94.3 m -101.68 124.66 47.69 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.039 173.79 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 85.7 m -69.7 -44.2 70.87 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.006 -0.543 . . . . 0.0 111.178 -176.134 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -144.97 88.93 1.92 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.229 -176.755 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 30.1 t -74.34 80.12 1.86 Allowed 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.965 -178.766 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 66.1 p -83.72 172.29 12.38 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.172 179.331 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 34.2 tp -58.8 -34.89 72.0 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.097 -0.501 . . . . 0.0 111.354 -172.915 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 99.3 m-20 -68.26 -17.95 64.42 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.13 -0.487 . . . . 0.0 111.244 179.458 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 72.6 m-20 -91.64 -3.28 56.53 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.203 -179.82 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 55.3 t0 -63.87 131.3 47.34 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.241 178.662 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 162.2 -161.89 33.83 Favored Glycine 0 CA--C 1.523 0.537 0 N-CA-C 111.241 -0.744 . . . . 0.0 111.241 178.785 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 75.6 m-80 -105.11 105.09 14.98 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 120.848 0.356 . . . . 0.0 111.139 -173.687 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 80' ' ' TYR . . . . . . . . . . . . . 33.5 m-85 -84.2 69.18 10.38 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.132 177.435 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 87.0 m -66.07 132.62 48.96 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.125 -176.535 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 82' ' ' ILE . . . . . 0.429 HD11 ' HB3' ' A' ' 29' ' ' CYS . 13.4 tt -109.92 138.15 38.91 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.372 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.208 176.804 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 83' ' ' MET . . . . . . . . . . . . . 54.7 ttm -132.74 139.81 47.77 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.266 -0.424 . . . . 0.0 111.372 -172.152 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 84' ' ' ALA . . . . . 0.455 ' HB3' HG12 ' A' ' 39' ' ' ILE . . . -119.0 145.98 45.39 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.289 -0.414 . . . . 0.0 111.169 170.702 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -146.94 130.0 16.41 Favored 'General case' 0 C--O 1.234 0.249 0 CA-C-N 116.058 -0.519 . . . . 0.0 111.163 -176.808 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 86' ' ' ASN . . . . . 0.449 ' CB ' ' CD ' ' A' ' 87' ' ' PRO . 37.8 p30 -152.3 177.7 1.82 Allowed Pre-proline 0 C--N 1.328 -0.357 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.13 172.841 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 87' ' ' PRO . . . . . 0.449 ' CD ' ' CB ' ' A' ' 86' ' ' ASN . 75.2 Cg_exo -57.23 -24.98 62.27 Favored 'Trans proline' 0 N--CA 1.456 -0.7 0 C-N-CA 121.8 1.666 . . . . 0.0 111.3 -176.559 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 96.1 mm-40 -89.88 -6.14 56.11 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.023 -0.535 . . . . 0.0 111.225 -171.209 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 144.33 -162.83 27.89 Favored Glycine 0 CA--C 1.521 0.468 0 N-CA-C 111.302 -0.719 . . . . 0.0 111.302 177.547 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 41.3 ptt180 -151.05 162.6 40.54 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.497 0.189 . . . . 0.0 111.278 -179.217 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 12.2 p -157.94 147.76 9.43 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.431 0 CA-C-N 116.345 -0.389 . . . . 0.0 111.062 -179.696 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 99.4 p -135.48 152.35 51.26 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.305 -178.833 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 93' ' ' CYS . . . . . . . . . . . . . 52.9 t -150.07 128.45 12.15 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.204 176.532 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 96.7 m -80.37 118.78 22.31 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.306 -171.433 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -90.67 60.27 3.22 Favored Glycine 0 CA--C 1.524 0.637 0 N-CA-C 111.111 -0.795 . . . . 0.0 111.111 -179.412 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 78.9 ttt180 -49.41 115.1 1.2 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.615 0.245 . . . . 0.0 111.268 -177.224 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 53.9 tp -121.86 105.1 10.05 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.123 175.481 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 98' ' ' MET . . . . . . . . . . . . . 98.7 mmm -95.83 144.95 25.75 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.11 -0.496 . . . . 0.0 111.262 177.415 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 99' ' ' VAL . . . . . 0.446 ' HA ' ' O ' ' A' ' 19' ' ' ILE . 94.4 t -113.26 131.14 65.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.314 -174.612 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 98.8 mm-40 . . . . . 0 C--N 1.331 -0.237 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.188 174.636 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.457 -0.08 0 CA-C-O 120.92 0.391 . . . . 0.0 111.063 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 36.2 Cg_endo -64.3 146.05 89.44 Favored 'Trans proline' 0 N--CA 1.458 -0.566 0 C-N-CA 121.686 1.59 . . . . 0.0 111.208 179.596 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 87.0 t80 -162.99 139.97 7.58 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.102 -177.259 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 71.8 m-85 -89.91 98.2 11.63 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.218 175.91 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 14.6 pt-20 -69.42 -20.04 63.79 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.013 -0.54 . . . . 0.0 111.298 175.379 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 67.4 ttp -136.34 113.63 10.71 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.192 169.588 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 98.1 mttt -100.39 166.56 10.89 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.276 -169.504 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 89.2 mt -83.45 170.25 14.67 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.236 177.93 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 64.0 pttt -135.02 -179.65 5.75 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.173 175.931 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 18.0 t-160 -73.74 108.91 6.85 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.086 -0.506 . . . . 0.0 111.273 176.278 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 76.9 m-85 -97.32 145.14 26.4 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.845 0.355 . . . . 0.0 111.168 -176.657 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 99.1 mttt -134.59 138.87 44.93 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.112 -0.495 . . . . 0.0 111.274 176.611 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 19' ' ' ILE . . . . . 0.407 HG13 ' N ' ' A' ' 20' ' ' PHE . 9.8 tp -148.47 151.59 13.14 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.218 -177.811 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 20' ' ' PHE . . . . . 0.407 ' N ' HG13 ' A' ' 19' ' ' ILE . 66.8 m-85 -78.48 146.03 34.65 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.292 -0.413 . . . . 0.0 111.27 172.867 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 87.7 tt0 -53.72 124.61 15.67 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.169 -178.433 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 102.03 -15.78 56.32 Favored Glycine 0 CA--C 1.525 0.683 0 N-CA-C 111.197 -0.761 . . . . 0.0 111.197 171.791 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 98.0 mmm -84.82 153.82 60.93 Favored Pre-proline 0 C--N 1.33 -0.261 0 CA-C-O 120.856 0.36 . . . . 0.0 111.291 -175.672 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 72.6 Cg_endo -75.36 153.08 39.82 Favored 'Trans proline' 0 N--CA 1.458 -0.604 0 C-N-CA 121.643 1.562 . . . . 0.0 111.19 179.56 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 46.2 t -135.22 127.35 47.26 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.039 179.238 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 92.4 m -121.48 126.46 49.3 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.956 178.895 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 31.1 p90 -153.22 158.51 41.82 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 116.09 -0.504 . . . . 0.0 111.088 174.563 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 9.8 t -149.78 159.66 44.18 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.153 -170.524 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 29.9 t -145.95 148.81 33.17 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.211 -178.576 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 78.8 ttt180 -129.09 138.47 51.86 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.333 -0.394 . . . . 0.0 111.12 -172.86 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 28.1 m -115.27 159.63 15.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.088 -0.506 . . . . 0.0 111.224 -176.016 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -145.0 77.96 1.55 Allowed 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.183 178.809 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -124.77 -171.92 13.43 Favored Glycine 0 CA--C 1.521 0.422 0 N-CA-C 111.34 -0.704 . . . . 0.0 111.34 177.295 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 34' ' ' ASN . . . . . 0.514 ' HA ' ' HA ' ' A' ' 35' ' ' PRO . 54.0 t-20 -156.88 106.24 1.94 Allowed Pre-proline 0 CA--C 1.51 -0.579 0 CA-C-O 121.34 0.59 . . . . 0.0 110.964 179.076 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 35' ' ' PRO . . . . . 0.514 ' HA ' ' HA ' ' A' ' 34' ' ' ASN . 27.5 Cg_exo -68.78 157.17 89.46 Favored 'Cis proline' 0 N--CA 1.457 -0.623 0 C-N-CA 121.587 -2.255 . . . . 0.0 111.136 3.892 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 36' ' ' LYS . . . . . 0.446 ' HA ' ' HD3' ' A' ' 37' ' ' PRO . 98.6 mttt -58.61 132.03 85.66 Favored Pre-proline 0 C--N 1.331 -0.233 0 CA-C-N 116.032 -0.531 . . . . 0.0 111.081 -179.434 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 37' ' ' PRO . . . . . 0.45 ' HA ' ' HB3' ' A' ' 86' ' ' ASN . 77.2 Cg_exo -56.17 141.06 88.11 Favored 'Trans proline' 0 N--CA 1.459 -0.539 0 C-N-CA 121.527 1.485 . . . . 0.0 111.204 -175.315 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 99.3 mttt -85.13 87.46 7.38 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.263 172.977 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 81.0 mt -53.69 123.96 5.49 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.224 0 CA-C-N 116.134 -0.484 . . . . 0.0 111.232 -172.563 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 80.5 m-85 -116.94 144.9 44.01 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.288 170.971 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 41' ' ' TRP . . . . . . . . . . . . . 94.8 m95 -114.25 140.0 48.94 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 121.033 0.444 . . . . 0.0 111.113 176.887 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 39.6 p90 -152.68 146.09 24.86 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 115.975 -0.557 . . . . 0.0 111.271 169.59 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 13.0 tmtt? -110.08 110.05 20.81 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.243 -174.752 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 93.8 m-20 53.84 33.54 17.3 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.119 -176.124 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 96.22 -0.7 62.17 Favored Glycine 0 CA--C 1.524 0.656 0 N-CA-C 111.205 -0.758 . . . . 0.0 111.205 176.643 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 96.9 mttt -94.85 100.03 11.98 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.9 0.381 . . . . 0.0 111.208 -178.726 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 66.4 tt0 -50.98 129.13 23.08 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.291 -0.413 . . . . 0.0 111.177 -178.111 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 95.6 mt -99.11 124.01 52.11 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.181 -178.132 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 49' ' ' SER . . . . . 0.406 ' HA ' ' HD3' ' A' ' 50' ' ' PRO . 30.5 t -90.0 136.62 28.79 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-N 116.296 -0.411 . . . . 0.0 111.127 174.82 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 50' ' ' PRO . . . . . 0.406 ' HD3' ' HA ' ' A' ' 49' ' ' SER . 53.6 Cg_exo -54.9 136.82 73.94 Favored 'Trans proline' 0 N--CA 1.457 -0.623 0 C-N-CA 121.551 1.501 . . . . 0.0 111.244 178.59 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 97.8 mttt 59.04 57.66 3.45 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.318 -0.401 . . . . 0.0 111.296 177.741 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 13.4 t -94.99 -161.76 0.89 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.136 -0.483 . . . . 0.0 111.152 178.883 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 99.4 m-20 -54.87 -45.72 74.65 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-O 121.046 0.45 . . . . 0.0 111.274 -177.801 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 54' ' ' HIS . . . . . . . . . . . . . 99.0 m-70 -136.73 -5.26 1.97 Allowed 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.199 178.996 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 55' ' ' TYR . . . . . . . . . . . . . 22.0 m-30 -106.07 95.25 5.65 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.077 -173.254 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 97.9 m -98.3 124.8 43.13 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.267 -179.242 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 96.7 mt -110.15 124.75 67.16 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-O 120.921 0.391 . . . . 0.0 111.137 179.975 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 85.1 mt-30 -111.16 136.27 50.47 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.115 173.256 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 94.1 mtt-85 -118.46 105.74 11.98 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.141 -172.127 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 67.8 t0 -84.41 122.25 28.7 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.286 171.32 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 95.1 mt -66.52 -12.29 56.84 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.112 -171.353 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 95.5 m-20 -64.98 -21.6 66.87 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.939 0.4 . . . . 0.0 111.17 177.493 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 123.16 18.93 3.02 Favored Glycine 0 CA--C 1.523 0.547 0 N-CA-C 111.136 -0.785 . . . . 0.0 111.136 -179.855 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 61.4 m -119.55 139.95 51.32 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-O 120.748 0.309 . . . . 0.0 111.315 -179.714 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 65' ' ' CYS . . . . . . . . . . . . . 36.4 t -135.05 134.14 40.07 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.104 176.706 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 32.3 t -114.97 135.78 53.85 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.261 -176.967 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 64.2 tp -114.9 119.66 37.32 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.093 -0.503 . . . . 0.0 111.097 177.952 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 82.5 t60 -111.74 126.05 54.64 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.272 -178.424 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 97.4 m -98.04 115.09 27.51 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.016 -0.538 . . . . 0.0 111.149 171.114 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 82.7 m -61.94 -44.74 96.13 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.29 -175.337 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -143.42 88.35 2.0 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.221 -177.096 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 48.0 t -75.0 107.2 6.91 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.155 -176.074 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 60.4 p -106.67 -178.96 3.8 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.163 -0.472 . . . . 0.0 111.131 178.968 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 96.5 mt -62.65 -25.45 68.13 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.335 -178.469 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 99.4 m-20 -78.27 -19.76 52.99 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.096 175.131 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 68.5 m-20 -92.63 -13.76 29.1 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.191 178.007 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 57.2 t0 -57.97 126.81 29.06 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.158 171.983 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 160.26 -164.47 34.43 Favored Glycine 0 CA--C 1.524 0.64 0 N-CA-C 111.189 -0.764 . . . . 0.0 111.189 -178.679 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 74.1 m-80 -105.81 109.38 21.32 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.91 0.386 . . . . 0.0 111.163 -173.897 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 80' ' ' TYR . . . . . . . . . . . . . 52.8 m-85 -83.77 70.06 10.3 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.208 177.351 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 85.6 m -65.83 135.08 54.38 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.169 -172.549 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 4.1 tt -109.88 139.97 30.79 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.061 177.729 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 83' ' ' MET . . . . . . . . . . . . . 63.5 ttp -119.76 121.16 38.55 Favored 'General case' 0 C--O 1.234 0.256 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.252 -175.738 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -88.82 65.5 7.67 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.319 -0.4 . . . . 0.0 111.085 177.571 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -76.51 124.59 27.82 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.255 -175.469 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 86' ' ' ASN . . . . . 0.46 ' CB ' ' CD ' ' A' ' 87' ' ' PRO . 30.7 p30 -150.73 177.79 1.74 Allowed Pre-proline 0 C--N 1.329 -0.313 0 CA-C-N 116.088 -0.505 . . . . 0.0 111.118 173.076 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 87' ' ' PRO . . . . . 0.46 ' CD ' ' CB ' ' A' ' 86' ' ' ASN . 75.6 Cg_exo -58.29 -24.96 70.39 Favored 'Trans proline' 0 N--CA 1.458 -0.604 0 C-N-CA 121.76 1.64 . . . . 0.0 111.201 -174.909 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 98.7 mm-40 -93.52 -4.95 50.14 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.068 -0.515 . . . . 0.0 111.259 -170.824 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 142.01 -157.73 26.52 Favored Glycine 0 CA--C 1.524 0.625 0 N-CA-C 111.287 -0.725 . . . . 0.0 111.287 179.711 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 40.3 ptt180 -150.81 149.95 30.36 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.75 0.309 . . . . 0.0 111.115 177.673 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 60.2 t -128.81 134.45 64.36 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.341 -0.39 . . . . 0.0 111.146 175.739 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 29.4 t -106.67 131.27 54.0 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.235 -0.438 . . . . 0.0 111.386 -177.854 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 93' ' ' CYS . . . . . . . . . . . . . 52.6 t -132.93 130.73 39.98 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.304 -0.407 . . . . 0.0 111.301 174.773 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 85.3 m -77.46 129.33 35.6 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.324 -171.761 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -100.52 55.39 0.83 Allowed Glycine 0 CA--C 1.524 0.633 0 N-CA-C 111.182 -0.767 . . . . 0.0 111.182 177.044 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 79.9 ttt180 -53.24 116.55 2.47 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.657 0.265 . . . . 0.0 111.327 -176.781 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 58.3 tp -125.18 112.3 16.28 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.305 -0.407 . . . . 0.0 111.155 171.42 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 98' ' ' MET . . . . . . . . . . . . . 98.7 mmm -97.86 140.72 31.8 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.152 179.621 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 84.0 t -116.93 124.01 72.46 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.082 -176.673 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 52.2 tp60 . . . . . 0 C--N 1.331 -0.221 0 CA-C-N 116.062 -0.517 . . . . 0.0 111.096 175.805 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.455 -0.189 0 CA-C-O 120.642 0.258 . . . . 0.0 111.207 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 34.7 Cg_endo -63.59 144.83 90.8 Favored 'Trans proline' 0 C--N 1.328 -0.551 0 C-N-CA 121.664 1.576 . . . . 0.0 111.166 179.335 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 86.6 t80 -161.42 139.99 9.67 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-O 121.086 0.47 . . . . 0.0 111.121 -176.477 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 83.3 m-85 -91.49 99.83 12.7 Favored 'General case' 0 C--N 1.332 -0.175 0 CA-C-N 116.041 -0.527 . . . . 0.0 111.111 175.971 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 21.7 pt-20 -77.42 -13.83 59.84 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.269 175.979 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 12' ' ' MET . . . . . 0.408 ' HB3' ' HB3' ' A' ' 30' ' ' ARG . 66.1 ttp -141.23 108.45 5.5 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.309 167.285 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 99.6 mttt -93.9 173.85 7.46 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.277 -172.662 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 92.3 mt -89.7 155.5 19.17 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.222 177.584 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 97.7 mttt -115.0 179.14 4.03 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.234 176.314 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 22.8 t-160 -73.93 111.82 9.46 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.183 173.401 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 94.5 m-85 -97.41 144.14 27.45 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.38 -0.373 . . . . 0.0 111.23 -175.713 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 98.4 mttt -125.63 115.42 20.11 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.285 178.691 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 3.8 mp -125.14 138.82 53.05 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.073 -0.512 . . . . 0.0 111.182 -170.639 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 8.8 m-30 -69.65 138.7 53.24 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.081 172.917 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 41.6 tt0 -55.12 119.01 4.84 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.074 -0.512 . . . . 0.0 111.116 179.067 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 95.08 -5.37 68.43 Favored Glycine 0 CA--C 1.523 0.579 0 N-CA-C 111.239 -0.744 . . . . 0.0 111.239 175.662 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 56.9 ttp -89.78 138.38 27.99 Favored Pre-proline 0 C--N 1.328 -0.343 0 CA-C-O 120.678 0.275 . . . . 0.0 111.335 -176.695 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 57.8 Cg_endo -66.48 150.42 84.18 Favored 'Trans proline' 0 C--N 1.327 -0.593 0 C-N-CA 121.588 1.525 . . . . 0.0 111.287 174.466 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 8.4 p -149.6 134.79 10.6 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.089 179.106 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 89.0 m -114.58 130.12 56.74 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.153 177.504 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 25.0 p90 -146.71 154.01 40.93 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.093 -0.503 . . . . 0.0 111.172 177.831 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 11.4 t -149.4 158.9 44.58 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.256 -166.538 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 36.6 t -147.39 148.9 31.79 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.326 -0.397 . . . . 0.0 111.265 -179.468 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 30' ' ' ARG . . . . . 0.408 ' HB3' ' HB3' ' A' ' 12' ' ' MET . 76.3 ttt180 -127.81 137.55 52.42 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 120.886 0.375 . . . . 0.0 111.143 -170.978 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 28.1 m -120.37 162.34 19.05 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.241 -176.136 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -145.01 80.96 1.63 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.339 177.729 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -120.97 -175.91 15.31 Favored Glycine 0 CA--C 1.521 0.457 0 N-CA-C 111.262 -0.735 . . . . 0.0 111.262 176.25 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 34' ' ' ASN . . . . . 0.507 ' HA ' ' HA ' ' A' ' 35' ' ' PRO . 54.1 t-20 -156.48 106.19 2.01 Favored Pre-proline 0 CA--C 1.511 -0.556 0 CA-C-O 121.142 0.496 . . . . 0.0 110.987 177.56 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 35' ' ' PRO . . . . . 0.507 ' HA ' ' HA ' ' A' ' 34' ' ' ASN . 27.7 Cg_exo -68.77 157.52 89.03 Favored 'Cis proline' 0 N--CA 1.458 -0.589 0 C-N-CA 121.5 -2.292 . . . . 0.0 111.255 4.158 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 36' ' ' LYS . . . . . 0.473 ' HA ' ' HD3' ' A' ' 37' ' ' PRO . 98.3 mttt -63.97 135.01 96.12 Favored Pre-proline 0 C--N 1.331 -0.215 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.047 -177.168 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 37' ' ' PRO . . . . . 0.473 ' HD3' ' HA ' ' A' ' 36' ' ' LYS . 74.1 Cg_exo -56.43 143.64 86.37 Favored 'Trans proline' 0 N--CA 1.458 -0.581 0 C-N-CA 121.704 1.603 . . . . 0.0 111.226 -176.145 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 99.2 mttt -86.91 75.02 9.63 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.378 171.73 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 75.8 mt -40.97 124.99 0.46 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.084 -172.179 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 83.4 m-85 -114.08 144.85 42.45 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.238 170.956 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 41' ' ' TRP . . . . . . . . . . . . . 92.1 m95 -114.36 136.87 52.51 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.093 176.631 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 37.0 p90 -154.11 147.09 24.5 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.199 171.493 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 12.7 tmtt? -109.98 110.03 20.82 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.101 -175.812 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 87.4 m-20 52.65 32.93 12.69 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.19 -176.327 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 98.18 -0.91 58.89 Favored Glycine 0 CA--C 1.523 0.586 0 N-CA-C 111.185 -0.766 . . . . 0.0 111.185 176.603 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 97.0 mttt -95.05 99.98 11.89 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.804 0.335 . . . . 0.0 111.062 -178.447 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 66.0 tt0 -54.57 131.33 42.73 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.338 -0.392 . . . . 0.0 111.202 -176.603 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 92.8 mt -110.8 118.19 56.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.352 -0.386 . . . . 0.0 111.177 177.757 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 49' ' ' SER . . . . . 0.408 ' HA ' ' HD3' ' A' ' 50' ' ' PRO . 88.7 p -89.84 154.23 47.71 Favored Pre-proline 0 C--N 1.328 -0.355 0 CA-C-N 116.336 -0.393 . . . . 0.0 111.273 178.063 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 50' ' ' PRO . . . . . 0.408 ' HD3' ' HA ' ' A' ' 49' ' ' SER . 46.4 Cg_exo -59.43 143.04 99.82 Favored 'Trans proline' 0 N--CA 1.459 -0.547 0 C-N-CA 121.622 1.548 . . . . 0.0 111.231 178.676 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 97.9 mttt 55.01 46.57 23.99 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.324 174.975 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 51.9 p -80.02 -170.16 2.34 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.309 -0.405 . . . . 0.0 111.224 177.317 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 98.7 m-20 -66.67 -33.27 75.28 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.13 -176.756 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 54' ' ' HIS . . . . . . . . . . . . . 98.7 m-70 -129.98 -6.85 4.44 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.008 -0.542 . . . . 0.0 111.33 -171.396 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 55' ' ' TYR . . . . . . . . . . . . . 82.3 m-85 -131.75 149.96 52.31 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.099 -176.61 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 84.8 m -134.88 130.73 36.4 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.112 175.272 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 92.2 mt -113.63 125.76 70.97 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.4 0 CA-C-N 116.285 -0.416 . . . . 0.0 111.01 -178.208 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 98.1 mm-40 -110.04 142.06 42.0 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.21 172.728 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 94.8 mtt-85 -121.21 102.42 8.29 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.179 -173.419 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 68.1 t0 -78.76 122.63 26.27 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.191 171.738 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 95.2 mt -67.06 -12.21 59.29 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.189 -171.592 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 95.5 m-20 -65.03 -21.56 66.86 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.291 -0.413 . . . . 0.0 111.061 176.864 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 122.46 20.77 2.87 Favored Glycine 0 CA--C 1.524 0.648 0 N-CA-C 111.066 -0.814 . . . . 0.0 111.066 -179.557 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 59.4 m -120.1 140.03 51.68 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 120.709 0.29 . . . . 0.0 111.247 -179.588 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 65' ' ' CYS . . . . . . . . . . . . . 28.8 t -134.57 134.97 41.92 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.067 177.548 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 41.0 t -118.79 129.63 55.35 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.279 -0.419 . . . . 0.0 111.106 -174.291 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 60.0 tp -107.72 121.6 45.04 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.085 -0.507 . . . . 0.0 111.136 176.609 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 74.6 t60 -110.0 129.99 55.6 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.245 179.654 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 87.0 m -102.7 126.66 49.89 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.171 173.488 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 88.9 m -69.9 -45.0 68.54 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.235 -176.148 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -144.95 90.19 2.03 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.289 -0.414 . . . . 0.0 111.178 -177.833 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 34.8 t -80.03 92.67 5.63 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.14 -176.649 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 67.5 p -90.73 177.54 6.3 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.103 178.472 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 86.6 mt -60.32 -30.24 69.37 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.103 -0.499 . . . . 0.0 111.324 179.278 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 99.0 m-20 -72.31 -17.5 61.85 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.083 -0.508 . . . . 0.0 111.217 176.672 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 68.9 m-20 -96.85 -0.18 48.25 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.288 -0.415 . . . . 0.0 111.197 178.148 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 59.1 t0 -69.01 131.46 45.09 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.356 176.397 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 160.77 -163.13 33.99 Favored Glycine 0 CA--C 1.523 0.561 0 N-CA-C 111.244 -0.742 . . . . 0.0 111.244 -179.565 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 75.3 m-20 -104.03 106.49 17.01 Favored 'General case' 0 C--O 1.234 0.285 0 CA-C-O 120.873 0.368 . . . . 0.0 111.148 -174.549 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 80' ' ' TYR . . . . . . . . . . . . . 44.9 m-85 -81.31 69.96 8.05 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.299 177.23 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 91.1 m -64.98 134.91 54.94 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.251 -171.002 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 82' ' ' ILE . . . . . 0.432 HG23 ' HB3' ' A' ' 93' ' ' CYS . 3.2 tt -109.93 140.02 30.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.118 176.808 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 83' ' ' MET . . . . . . . . . . . . . 64.7 ttp -120.0 119.96 34.92 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.222 -175.048 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -86.46 77.17 9.49 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-O 120.987 0.422 . . . . 0.0 111.182 173.867 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -88.6 121.93 31.5 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.238 -176.276 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 86' ' ' ASN . . . . . 0.457 ' HB3' ' HA ' ' A' ' 37' ' ' PRO . 30.3 p30 -146.89 177.42 1.77 Allowed Pre-proline 0 C--N 1.328 -0.335 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.13 173.116 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 87' ' ' PRO . . . . . 0.447 ' CD ' ' CB ' ' A' ' 86' ' ' ASN . 77.8 Cg_exo -58.21 -24.9 69.47 Favored 'Trans proline' 0 N--CA 1.455 -0.758 0 C-N-CA 121.709 1.606 . . . . 0.0 111.297 -175.586 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 98.0 mm-40 -90.8 -5.08 56.1 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.057 -171.71 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 139.91 -170.97 24.06 Favored Glycine 0 CA--C 1.522 0.517 0 N-CA-C 111.353 -0.699 . . . . 0.0 111.353 175.81 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 98.7 mtt180 -129.99 144.99 51.63 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 120.573 0.225 . . . . 0.0 111.221 -178.867 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 56.3 t -134.26 128.3 52.01 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.224 176.569 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 30.8 t -101.17 139.26 37.1 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.37 -178.678 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 93' ' ' CYS . . . . . 0.432 ' HB3' HG23 ' A' ' 82' ' ' ILE . 52.4 t -135.93 129.12 31.73 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.314 172.991 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 85.1 m -72.02 128.81 36.88 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.153 -172.599 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -102.17 58.69 0.6 Allowed Glycine 0 CA--C 1.525 0.663 0 N-CA-C 111.124 -0.79 . . . . 0.0 111.124 176.262 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 80.1 ttt180 -54.26 110.12 0.57 Allowed 'General case' 0 C--N 1.327 -0.413 0 CA-C-O 120.714 0.292 . . . . 0.0 111.191 -176.538 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 3.1 mp -114.29 106.51 14.42 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.318 170.818 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 98' ' ' MET . . . . . . . . . . . . . 63.9 ttp -96.82 130.88 44.02 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.077 -0.51 . . . . 0.0 111.054 179.131 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 77.6 t -113.21 138.28 43.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.313 -176.107 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 65.7 tt0 . . . . . 0 N--CA 1.454 -0.236 0 CA-C-O 121.033 0.444 . . . . 0.0 111.326 -179.061 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.456 -0.133 0 CA-C-O 120.752 0.31 . . . . 0.0 111.265 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 51.6 Cg_endo -67.21 120.81 7.89 Favored 'Trans proline' 0 N--CA 1.458 -0.602 0 C-N-CA 121.617 1.544 . . . . 0.0 111.206 178.302 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 91.7 t80 -162.13 137.68 7.39 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.102 179.61 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 10' ' ' PHE . . . . . 0.432 ' CD1' ' SG ' ' A' ' 29' ' ' CYS . 65.6 m-85 -80.65 114.13 19.33 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.156 -179.862 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 22.9 pt-20 -78.87 -14.72 59.08 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.034 171.255 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 67.5 ttp -137.09 115.99 12.3 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.083 167.879 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 97.1 mttt -102.34 164.9 11.42 Favored 'General case' 0 C--N 1.332 -0.155 0 CA-C-N 116.03 -0.532 . . . . 0.0 111.147 -171.417 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 96.1 mt -80.95 150.14 29.08 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.248 -179.95 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 97.5 mttt -115.06 -179.06 3.52 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.241 179.228 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 22.1 t-160 -75.09 113.18 12.12 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.275 173.905 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 63.1 m-85 -105.83 148.3 27.7 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.411 -0.359 . . . . 0.0 111.33 -175.947 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 99.2 mttt -134.34 139.74 45.87 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.197 177.696 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 10.9 tp -149.85 149.92 14.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.189 -178.813 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 56.0 m-85 -77.93 146.33 35.6 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.277 -0.419 . . . . 0.0 111.292 178.194 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 39.8 tt0 -55.08 120.63 7.25 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.11 -0.496 . . . . 0.0 111.062 -177.0 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 98.79 -14.51 61.67 Favored Glycine 0 CA--C 1.523 0.578 0 N-CA-C 111.113 -0.795 . . . . 0.0 111.113 173.09 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 98.0 mmm -85.22 153.25 59.34 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 120.852 0.358 . . . . 0.0 111.266 -176.825 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 86.4 Cg_endo -75.52 152.74 38.76 Favored 'Trans proline' 0 N--CA 1.459 -0.546 0 C-N-CA 121.764 1.643 . . . . 0.0 111.179 177.883 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 9.1 p -152.42 134.96 6.45 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.134 176.395 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 88.2 m -120.27 135.41 55.01 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.212 -178.949 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 23.7 p90 -151.5 152.27 32.76 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 116.337 -0.392 . . . . 0.0 111.198 174.921 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 9.5 t -146.95 157.49 43.65 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.087 -0.506 . . . . 0.0 111.228 -164.688 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 29' ' ' CYS . . . . . 0.432 ' SG ' ' CD1' ' A' ' 10' ' ' PHE . 1.8 t -143.28 153.11 42.44 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.242 -179.203 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 54.2 ttt85 -133.28 130.63 39.2 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.318 -0.401 . . . . 0.0 111.138 -169.526 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 85.2 t -108.46 134.88 49.01 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.101 -0.5 . . . . 0.0 111.234 -176.144 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -93.79 64.98 3.54 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.215 173.916 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -107.6 163.02 13.1 Favored Glycine 0 CA--C 1.521 0.452 0 N-CA-C 111.369 -0.692 . . . . 0.0 111.369 -178.781 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 34' ' ' ASN . . . . . 0.468 ' HA ' ' HA ' ' A' ' 35' ' ' PRO . 60.1 t-20 -168.25 101.71 0.55 Allowed Pre-proline 0 CA--C 1.51 -0.566 0 CA-C-O 121.093 0.473 . . . . 0.0 110.979 177.17 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 35' ' ' PRO . . . . . 0.468 ' HA ' ' HA ' ' A' ' 34' ' ' ASN . 58.6 Cg_endo -71.94 169.84 68.91 Favored 'Cis proline' 0 N--CA 1.457 -0.649 0 C-N-CA 121.36 -2.35 . . . . 0.0 111.403 1.404 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 36' ' ' LYS . . . . . 0.464 ' HA ' ' HD3' ' A' ' 37' ' ' PRO . 72.3 mmtt -67.93 135.1 91.93 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.156 -179.848 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 37' ' ' PRO . . . . . 0.464 ' HD3' ' HA ' ' A' ' 36' ' ' LYS . 31.9 Cg_exo -64.47 177.9 1.92 Allowed 'Trans proline' 0 N--CA 1.459 -0.516 0 C-N-CA 121.544 1.496 . . . . 0.0 111.238 177.947 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 98.8 mttt -84.72 80.01 9.41 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.459 174.724 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 60.1 mt -77.77 132.92 31.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.038 -171.924 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 37.9 p90 -149.43 164.88 33.75 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.306 178.946 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 41' ' ' TRP . . . . . . . . . . . . . 74.8 m95 -109.11 151.59 26.21 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 121.083 0.468 . . . . 0.0 111.123 178.973 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 38.9 p90 -152.88 145.75 24.44 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.059 -0.519 . . . . 0.0 111.235 166.323 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 13.3 tmtt? -110.04 109.93 20.67 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.049 -0.523 . . . . 0.0 111.265 -175.642 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 89.8 m-20 53.0 33.37 14.62 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.11 -176.294 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 98.98 -3.32 58.51 Favored Glycine 0 CA--C 1.524 0.64 0 N-CA-C 111.152 -0.779 . . . . 0.0 111.152 176.296 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 97.0 mttt -95.35 99.9 11.76 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-O 120.697 0.284 . . . . 0.0 111.131 -177.591 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 66.0 tt0 -51.94 130.04 28.45 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.381 -0.372 . . . . 0.0 111.214 -177.683 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 97.9 mt -98.36 124.95 51.76 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.148 -176.911 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 30.5 t -85.49 132.1 45.8 Favored Pre-proline 0 C--N 1.328 -0.342 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.239 174.127 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 57.0 Cg_exo -54.5 137.41 72.69 Favored 'Trans proline' 0 N--CA 1.458 -0.592 0 C-N-CA 121.731 1.62 . . . . 0.0 111.164 178.366 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 97.6 mttt 59.69 58.09 2.98 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.302 178.108 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 13.1 t -94.96 -160.86 0.81 Allowed 'General case' 0 C--O 1.234 0.265 0 CA-C-N 116.06 -0.518 . . . . 0.0 111.166 178.63 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 99.6 m-20 -55.08 -45.33 75.39 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.346 -0.388 . . . . 0.0 111.175 -178.055 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 54' ' ' HIS . . . . . . . . . . . . . 99.5 m-70 -136.32 -6.5 2.03 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.09 -0.505 . . . . 0.0 111.351 178.645 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 55' ' ' TYR . . . . . . . . . . . . . 21.9 m-30 -103.03 92.62 4.62 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.269 -173.397 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 97.3 m -97.71 120.3 37.85 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.123 -0.489 . . . . 0.0 111.155 -179.297 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 96.8 mt -105.79 123.44 60.28 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.137 -179.067 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 64.8 tt0 -104.97 119.1 38.18 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.146 173.857 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 62.7 ttm-85 -102.81 90.26 3.74 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.185 -175.167 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 67.0 t0 -71.29 119.93 16.13 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 120.928 0.395 . . . . 0.0 111.181 172.904 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 95.6 mt -68.82 -10.83 59.01 Favored 'General case' 0 C--O 1.236 0.347 0 CA-C-N 116.051 -0.522 . . . . 0.0 111.233 -171.456 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 17.9 t70 -67.73 -19.84 65.18 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.382 -0.372 . . . . 0.0 111.188 176.039 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 123.67 17.21 3.2 Favored Glycine 0 CA--C 1.524 0.613 0 N-CA-C 111.023 -0.831 . . . . 0.0 111.023 176.398 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 95.6 m -114.93 126.12 54.42 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-O 120.802 0.335 . . . . 0.0 111.253 -179.087 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 65' ' ' CYS . . . . . . . . . . . . . 76.7 m -115.77 124.92 51.98 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.125 176.228 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 34.7 t -115.38 132.66 56.55 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.079 -0.51 . . . . 0.0 111.169 -177.047 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 68.4 tp -112.43 119.87 39.71 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.081 -0.508 . . . . 0.0 111.139 177.056 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 63.5 t60 -108.25 125.11 51.29 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.364 -0.38 . . . . 0.0 111.294 176.788 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 92.2 m -101.08 115.59 30.84 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.054 172.513 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 83.6 m -64.99 -43.45 92.54 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.257 -175.201 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -142.12 87.61 2.04 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.051 -0.522 . . . . 0.0 111.045 -176.874 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 46.6 t -80.08 105.78 11.61 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.186 -177.686 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 47.7 p -105.9 -179.86 4.06 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.221 -179.903 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 96.4 mt -60.81 -28.24 68.64 Favored 'General case' 0 C--N 1.333 -0.143 0 CA-C-N 116.101 -0.5 . . . . 0.0 111.273 -178.559 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 98.7 m-20 -76.76 -17.9 58.78 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.052 176.063 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 67.4 m-20 -94.82 -16.16 23.17 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.27 178.192 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 57.7 t0 -54.88 128.8 34.85 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.305 -0.407 . . . . 0.0 111.204 174.412 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 160.77 -163.26 34.05 Favored Glycine 0 CA--C 1.523 0.55 0 N-CA-C 111.212 -0.755 . . . . 0.0 111.212 -179.462 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 74.6 m-80 -105.56 108.05 19.35 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.921 0.391 . . . . 0.0 111.209 -174.481 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 80' ' ' TYR . . . . . . . . . . . . . 54.7 m-85 -84.94 69.99 10.85 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.35 177.809 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 87.0 m -68.89 134.61 49.85 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.019 -172.842 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 12.7 tt -109.98 136.92 44.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.196 176.373 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 83' ' ' MET . . . . . . . . . . . . . 59.2 ttm -127.71 128.34 45.25 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.289 -0.414 . . . . 0.0 111.327 -178.143 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -98.69 65.05 1.53 Allowed 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.319 -0.4 . . . . 0.0 111.12 173.858 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -75.22 143.14 43.28 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.269 -174.431 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 86' ' ' ASN . . . . . 0.406 ' CB ' ' CD ' ' A' ' 87' ' ' PRO . 37.5 p30 -155.5 174.72 3.66 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-N 116.293 -0.412 . . . . 0.0 111.101 171.45 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 87' ' ' PRO . . . . . 0.406 ' CD ' ' CB ' ' A' ' 86' ' ' ASN . 68.8 Cg_exo -59.79 -24.63 76.54 Favored 'Trans proline' 0 N--CA 1.456 -0.685 0 C-N-CA 121.7 1.6 . . . . 0.0 111.328 -174.682 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 88.3 mm-40 -97.07 -1.72 44.74 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.285 -171.087 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 144.47 -175.45 24.21 Favored Glycine 0 CA--C 1.524 0.624 0 N-CA-C 111.252 -0.739 . . . . 0.0 111.252 -178.201 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 41.0 ptt180 -148.51 159.97 43.54 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.593 0.235 . . . . 0.0 111.201 -177.014 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 9.3 p -147.35 139.93 19.02 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.525 0 CA-C-N 116.288 -0.415 . . . . 0.0 111.295 173.78 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 36.8 t -130.08 137.46 50.21 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.334 -0.394 . . . . 0.0 111.323 -169.205 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 93' ' ' CYS . . . . . . . . . . . . . 96.5 m -130.05 139.2 51.02 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.277 -0.42 . . . . 0.0 111.341 171.827 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 94.6 m -87.45 118.51 26.95 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.229 -171.566 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -88.85 59.88 3.92 Favored Glycine 0 CA--C 1.523 0.571 0 N-CA-C 111.249 -0.74 . . . . 0.0 111.249 179.99 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 79.2 ttt180 -53.43 113.94 1.33 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.71 0.29 . . . . 0.0 111.304 -179.887 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 65.5 tp -123.4 109.22 13.6 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.242 174.615 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 98' ' ' MET . . . . . . . . . . . . . 99.2 mmm -95.67 140.82 29.94 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.158 178.137 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 85.9 t -115.63 128.99 72.68 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.221 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.166 -176.348 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 99.4 mm-40 . . . . . 0 C--N 1.331 -0.222 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.218 178.177 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.457 -0.107 0 CA-C-O 120.814 0.34 . . . . 0.0 111.147 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 54.6 Cg_endo -71.43 148.07 53.69 Favored 'Trans proline' 0 N--CA 1.457 -0.623 0 C-N-CA 121.784 1.656 . . . . 0.0 111.119 -177.172 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 55.1 p90 -153.32 155.01 35.69 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.305 -0.407 . . . . 0.0 111.262 174.085 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 90.3 m-85 -83.56 94.18 8.01 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.282 -0.417 . . . . 0.0 111.046 -172.458 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 87.8 tt0 -57.02 -37.11 71.24 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.3 169.885 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 62.7 ttp -130.78 122.75 27.74 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.052 -0.522 . . . . 0.0 111.219 173.241 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 99.0 mttt -102.11 164.95 11.42 Favored 'General case' 0 C--O 1.233 0.208 0 CA-C-N 116.097 -0.501 . . . . 0.0 111.243 -173.363 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 95.9 mt -84.11 154.97 22.85 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.315 -0.402 . . . . 0.0 111.174 178.649 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 98.0 mttt -114.98 169.96 8.7 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.299 176.205 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 19.2 t-160 -67.02 111.08 3.64 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.154 174.139 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 60.9 m-85 -100.88 146.31 27.5 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.38 -0.373 . . . . 0.0 111.298 -175.081 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 99.0 mttt -135.74 139.66 43.76 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.275 176.727 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 19' ' ' ILE . . . . . 0.401 HG13 ' N ' ' A' ' 20' ' ' PHE . 9.7 tp -147.96 152.09 12.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.022 -178.336 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 20' ' ' PHE . . . . . 0.401 ' N ' HG13 ' A' ' 19' ' ' ILE . 67.2 m-85 -79.93 145.33 32.68 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.069 -0.514 . . . . 0.0 111.306 172.66 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 88.5 tt0 -53.43 124.6 15.28 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.001 -178.604 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 104.1 -17.05 49.14 Favored Glycine 0 CA--C 1.524 0.598 0 N-CA-C 111.076 -0.81 . . . . 0.0 111.076 171.78 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 98.1 mmm -84.97 153.7 60.35 Favored Pre-proline 0 C--N 1.328 -0.342 0 CA-C-O 120.874 0.369 . . . . 0.0 111.179 -175.359 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 71.7 Cg_endo -75.06 153.53 41.56 Favored 'Trans proline' 0 C--N 1.328 -0.517 0 C-N-CA 121.617 1.545 . . . . 0.0 111.241 178.408 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 46.5 t -135.03 127.05 47.63 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.198 179.518 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 85.8 m -122.26 125.32 45.78 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.028 -0.533 . . . . 0.0 111.107 179.767 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 37.8 p90 -153.72 160.16 42.22 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.05 174.2 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 9.3 t -149.62 155.58 40.49 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.177 -172.371 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 11.2 t -141.09 148.2 39.77 Favored 'General case' 0 C--O 1.235 0.318 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.197 -178.619 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 60.6 ttt85 -121.87 121.77 37.91 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.478 -0.328 . . . . 0.0 111.188 -172.875 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 97.2 t -110.66 119.34 59.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.316 176.624 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -92.8 64.94 4.12 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.226 -177.776 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -92.74 175.25 36.88 Favored Glycine 0 CA--C 1.521 0.418 0 N-CA-C 111.3 -0.72 . . . . 0.0 111.3 176.058 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 34' ' ' ASN . . . . . 0.486 ' HA ' ' HA ' ' A' ' 35' ' ' PRO . 54.2 t-20 -158.88 106.19 1.59 Allowed Pre-proline 0 CA--C 1.511 -0.546 0 CA-C-O 121.329 0.585 . . . . 0.0 110.924 176.706 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 35' ' ' PRO . . . . . 0.486 ' HA ' ' HA ' ' A' ' 34' ' ' ASN . 60.1 Cg_endo -73.01 157.77 98.82 Favored 'Cis proline' 0 N--CA 1.458 -0.574 0 C-N-CA 121.371 -2.345 . . . . 0.0 111.246 2.046 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 3.8 mptp? -60.08 112.77 5.91 Favored Pre-proline 0 C--N 1.331 -0.208 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.117 176.966 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 39.8 Cg_exo -59.8 154.6 48.62 Favored 'Trans proline' 0 N--CA 1.458 -0.604 0 C-N-CA 121.625 1.55 . . . . 0.0 111.198 178.966 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 88.6 tttt -70.33 79.17 0.54 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.261 175.014 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 87.4 mt -41.94 123.79 0.49 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.225 -176.412 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 85.5 m-85 -106.26 148.25 28.19 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.296 -0.411 . . . . 0.0 111.224 178.582 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 41' ' ' TRP . . . . . . . . . . . . . 90.4 m95 -119.98 141.87 49.29 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.184 173.03 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 40.2 p90 -152.58 146.12 24.95 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.075 -0.511 . . . . 0.0 111.406 172.084 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 12.3 tmtt? -110.04 110.06 20.84 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.271 -175.028 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 94.6 m-20 53.81 33.62 17.37 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.075 -176.17 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 95.83 -0.07 62.53 Favored Glycine 0 CA--C 1.525 0.676 0 N-CA-C 111.034 -0.827 . . . . 0.0 111.034 176.533 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 97.0 mttt -94.92 100.66 12.48 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.811 0.339 . . . . 0.0 111.155 -178.942 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 66.4 tt0 -51.11 129.47 24.18 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 116.393 -0.367 . . . . 0.0 111.202 -177.491 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 95.0 mt -99.97 124.99 53.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.305 -0.407 . . . . 0.0 111.266 -179.317 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 30.6 t -87.92 133.97 36.29 Favored Pre-proline 0 C--N 1.327 -0.407 0 CA-C-N 116.328 -0.396 . . . . 0.0 111.262 174.864 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_exo -54.83 137.77 75.73 Favored 'Trans proline' 0 N--CA 1.456 -0.678 0 C-N-CA 121.71 1.607 . . . . 0.0 111.264 178.109 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 98.0 mttt 58.21 56.98 4.2 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.252 178.232 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 14.8 t -94.95 -161.6 0.87 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.291 178.681 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 99.6 m-20 -55.0 -45.67 75.08 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.348 -177.899 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 54' ' ' HIS . . . . . . . . . . . . . 99.5 m-70 -136.41 -5.21 2.05 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.879 -0.6 . . . . 0.0 111.304 179.368 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 55' ' ' TYR . . . . . . . . . . . . . 22.2 m-30 -107.19 96.63 6.55 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.081 -172.286 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 97.7 m -99.02 124.49 44.04 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.162 -179.582 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 98.5 mt -110.54 124.39 67.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.277 -0.419 . . . . 0.0 111.259 179.586 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 97.0 mm-40 -115.04 105.12 12.59 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.289 -0.414 . . . . 0.0 111.147 174.247 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 39.3 ttm105 -102.0 100.03 10.26 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.287 -0.415 . . . . 0.0 111.153 -173.765 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 65.6 t0 -78.1 131.32 37.22 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.229 -0.442 . . . . 0.0 111.125 173.52 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 95.2 mt -67.53 -14.19 62.72 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.232 -174.347 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 19.0 t70 -63.93 -27.32 69.06 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.286 -0.415 . . . . 0.0 111.2 177.482 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 132.71 -10.8 5.2 Favored Glycine 0 CA--C 1.523 0.557 0 N-CA-C 111.164 -0.774 . . . . 0.0 111.164 175.982 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 96.9 m -94.58 128.37 41.15 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 120.829 0.347 . . . . 0.0 111.293 178.379 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 65' ' ' CYS . . . . . . . . . . . . . 46.9 t -131.41 129.14 40.88 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.152 176.488 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 29.0 t -105.36 143.18 33.88 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.215 -176.451 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 61.1 tp -120.74 117.78 28.35 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.256 173.642 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 83.0 t60 -110.45 127.66 55.23 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.353 -178.619 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 95.2 m -100.37 117.14 33.95 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.022 171.885 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 81.7 m -63.72 -44.03 94.78 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.21 -176.061 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -144.08 88.22 1.95 Allowed 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.288 -0.415 . . . . 0.0 111.057 -176.871 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 47.0 t -78.12 106.37 9.96 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.097 -177.493 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 46.5 p -102.72 176.59 5.11 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 120.973 0.416 . . . . 0.0 111.021 179.304 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 37.5 tp -56.12 -35.69 67.38 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 116.037 -0.529 . . . . 0.0 111.278 -178.625 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 99.2 m-20 -72.38 -17.25 61.84 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.053 -0.521 . . . . 0.0 111.233 179.764 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 68.8 m-20 -89.93 -5.79 56.39 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.285 178.121 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 54.9 t0 -62.94 127.02 29.32 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.249 176.42 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 162.22 -164.03 35.27 Favored Glycine 0 CA--C 1.523 0.58 0 N-CA-C 111.157 -0.777 . . . . 0.0 111.157 -179.529 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 73.3 m-80 -105.82 109.57 21.58 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.869 0.366 . . . . 0.0 111.143 -173.803 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 80' ' ' TYR . . . . . . . . . . . . . 48.9 m-85 -84.56 70.07 10.68 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.292 178.016 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 88.7 m -65.94 134.19 52.46 Favored 'General case' 0 C--O 1.234 0.275 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.207 -171.504 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 82' ' ' ILE . . . . . 0.403 ' O ' ' HA ' ' A' ' 92' ' ' SER . 2.8 tt -103.49 142.11 17.93 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.295 -0.411 . . . . 0.0 111.115 173.564 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 83' ' ' MET . . . . . . . . . . . . . 65.9 ttp -142.67 124.64 15.23 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.256 -177.64 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -93.37 64.95 3.76 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.199 178.095 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -73.09 134.66 44.61 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.21 -175.532 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 5.4 p30 -154.95 173.55 4.72 Favored Pre-proline 0 C--N 1.327 -0.407 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.228 176.001 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 71.3 Cg_exo -57.79 -30.71 90.19 Favored 'Trans proline' 0 N--CA 1.457 -0.633 0 C-N-CA 121.85 1.7 . . . . 0.0 111.136 -174.396 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 95.3 mm-40 -95.27 2.22 54.76 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.128 -170.209 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 142.03 -174.71 23.07 Favored Glycine 0 CA--C 1.521 0.41 0 N-CA-C 111.405 -0.678 . . . . 0.0 111.405 177.103 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 41.4 ptt180 -149.23 156.04 41.52 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 120.565 0.222 . . . . 0.0 111.16 -178.414 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 9.5 p -151.8 139.55 13.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.215 174.121 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 92' ' ' SER . . . . . 0.403 ' HA ' ' O ' ' A' ' 82' ' ' ILE . 94.7 p -129.3 158.69 38.38 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.315 -0.402 . . . . 0.0 111.364 -167.51 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 93' ' ' CYS . . . . . . . . . . . . . 52.1 t -149.99 135.06 17.91 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.186 176.588 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 88.8 m -70.71 130.06 40.76 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.211 -172.523 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -103.16 55.5 0.65 Allowed Glycine 0 CA--C 1.523 0.547 0 N-CA-C 111.279 -0.729 . . . . 0.0 111.279 177.087 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 80.0 ttt180 -52.8 115.56 1.88 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.797 0.332 . . . . 0.0 111.285 -176.414 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 57.5 tp -124.62 110.28 14.22 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.161 171.401 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 98' ' ' MET . . . . . . . . . . . . . 98.8 mmm -96.27 141.33 29.74 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.151 179.329 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 57.3 t -118.61 125.04 74.07 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.262 -176.756 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 55.1 tp60 . . . . . 0 C--N 1.329 -0.302 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.227 173.798 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.116 0 CA-C-O 120.867 0.365 . . . . 0.0 111.166 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 35.9 Cg_endo -64.48 145.63 88.02 Favored 'Trans proline' 0 N--CA 1.457 -0.624 0 C-N-CA 121.785 1.656 . . . . 0.0 111.15 179.873 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 86.8 t80 -161.42 139.95 9.65 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 121.004 0.43 . . . . 0.0 111.067 -176.895 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 90.3 m-85 -90.53 99.75 12.72 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.078 -0.51 . . . . 0.0 111.088 176.953 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 21.6 pt-20 -78.43 -14.94 59.15 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.049 -0.523 . . . . 0.0 111.199 175.989 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 63.0 ttp -140.32 107.37 5.45 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.15 168.141 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 99.4 mttt -93.0 167.97 11.45 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.033 -0.531 . . . . 0.0 111.247 -172.356 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 85.7 mt -81.86 157.59 24.34 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.344 177.184 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 97.3 mttt -114.97 179.76 3.86 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.295 -0.411 . . . . 0.0 111.313 177.144 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 22.9 t-160 -82.55 110.14 17.38 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.264 -0.425 . . . . 0.0 111.133 172.997 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 92.1 m-85 -98.18 143.58 28.54 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.388 -0.369 . . . . 0.0 111.297 -173.221 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 88.3 tttt -115.48 120.09 38.36 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.298 175.271 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 4.1 mp -126.25 139.29 52.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.101 -173.575 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 12.6 m-30 -73.74 140.97 46.32 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.28 173.641 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 88.0 tt0 -56.62 117.48 3.93 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.246 179.514 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 96.45 -8.12 66.43 Favored Glycine 0 CA--C 1.524 0.618 0 N-CA-C 111.321 -0.711 . . . . 0.0 111.321 177.375 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 28.6 ttt -88.81 132.19 39.18 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 120.764 0.316 . . . . 0.0 111.375 -178.21 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 50.0 Cg_endo -66.15 151.02 84.68 Favored 'Trans proline' 0 C--N 1.326 -0.617 0 C-N-CA 121.73 1.62 . . . . 0.0 111.071 177.215 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 8.1 p -145.87 135.02 17.25 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.215 0 CA-C-N 116.092 -0.503 . . . . 0.0 111.085 -179.511 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 92.0 m -114.82 129.86 56.77 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.171 176.838 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 28.2 p90 -145.36 153.45 41.24 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.193 177.861 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 12.4 t -149.6 159.41 44.35 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.274 -167.711 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 48.2 t -147.59 147.11 29.71 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.132 -179.046 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 58.0 ttt85 -123.41 135.32 54.06 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.122 -172.446 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 31.7 m -116.41 163.98 13.14 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.219 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.117 -179.476 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -144.05 76.82 1.52 Allowed 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.307 177.762 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -117.74 -176.7 17.26 Favored Glycine 0 CA--C 1.521 0.437 0 N-CA-C 111.234 -0.747 . . . . 0.0 111.234 176.986 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 34' ' ' ASN . . . . . 0.473 ' HA ' ' HA ' ' A' ' 35' ' ' PRO . 54.2 t-20 -155.46 106.06 2.2 Favored Pre-proline 0 CA--C 1.51 -0.572 0 CA-C-O 121.256 0.55 . . . . 0.0 110.979 178.786 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 35' ' ' PRO . . . . . 0.473 ' HA ' ' HA ' ' A' ' 34' ' ' ASN . 30.0 Cg_exo -71.71 157.68 96.6 Favored 'Cis proline' 0 N--CA 1.456 -0.73 0 C-N-CA 121.564 -2.265 . . . . 0.0 111.318 7.541 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 99.0 mttt -58.56 127.8 82.37 Favored Pre-proline 0 C--N 1.332 -0.19 0 CA-C-N 116.11 -0.496 . . . . 0.0 111.145 -178.536 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 37' ' ' PRO . . . . . 0.447 ' HA ' ' HB3' ' A' ' 86' ' ' ASN . 74.0 Cg_exo -56.68 144.98 84.44 Favored 'Trans proline' 0 N--CA 1.458 -0.574 0 C-N-CA 121.636 1.557 . . . . 0.0 111.242 -177.184 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 98.8 mttt -89.04 75.53 7.94 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.37 174.559 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 79.0 mt -42.25 121.09 0.37 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 116.049 -0.523 . . . . 0.0 111.147 -170.693 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 75.5 m-85 -110.87 150.52 29.06 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.248 173.125 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 41' ' ' TRP . . . . . . . . . . . . . 91.1 m95 -117.7 140.33 49.82 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.288 -0.415 . . . . 0.0 111.164 178.448 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 44.1 p90 -153.37 146.53 24.67 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.318 168.557 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 13.5 tmtt? -110.0 109.85 20.58 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.081 -0.509 . . . . 0.0 111.198 -172.979 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 89.3 m-20 53.27 34.39 17.62 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.292 -0.413 . . . . 0.0 111.08 -176.789 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 96.52 -0.37 61.39 Favored Glycine 0 CA--C 1.525 0.671 0 N-CA-C 111.086 -0.805 . . . . 0.0 111.086 176.321 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 96.7 mttt -95.3 100.06 11.9 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.87 0.366 . . . . 0.0 111.099 -178.492 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 66.4 tt0 -51.46 128.77 23.68 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.13 -178.146 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 96.9 mt -100.35 124.59 53.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.133 -178.974 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 49' ' ' SER . . . . . 0.401 ' HA ' ' HD3' ' A' ' 50' ' ' PRO . 30.2 t -88.0 134.69 34.62 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-N 116.309 -0.405 . . . . 0.0 111.292 174.893 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 50' ' ' PRO . . . . . 0.401 ' HD3' ' HA ' ' A' ' 49' ' ' SER . 53.8 Cg_exo -54.59 138.14 74.58 Favored 'Trans proline' 0 N--CA 1.457 -0.648 0 C-N-CA 121.643 1.562 . . . . 0.0 111.336 178.446 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 98.0 mttt 58.46 56.91 4.09 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.295 177.857 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 14.5 t -94.93 -162.08 0.92 Allowed 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.275 178.847 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 99.5 m-20 -55.48 -45.96 76.93 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.342 -177.879 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 54' ' ' HIS . . . . . . . . . . . . . 99.7 m-70 -136.21 -4.93 2.11 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.038 -0.528 . . . . 0.0 111.334 179.86 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 55' ' ' TYR . . . . . . . . . . . . . 22.0 m-30 -108.57 96.88 6.64 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 121.168 0.509 . . . . 0.0 111.124 -173.445 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 97.1 m -100.07 120.58 40.07 Favored 'General case' 0 C--O 1.233 0.195 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.231 -179.181 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 98.1 mt -105.75 124.98 61.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.232 179.352 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 71.7 tp60 -116.94 107.83 15.05 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.185 172.884 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 42.3 ttm105 -101.28 100.05 10.51 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.162 -175.984 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 66.9 t0 -77.53 128.51 34.3 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.149 173.901 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 95.0 mt -66.97 -13.66 62.08 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.23 -174.615 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 24.3 t70 -60.79 -29.53 69.51 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.185 176.874 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 132.98 -0.45 4.45 Favored Glycine 0 CA--C 1.525 0.695 0 N-CA-C 110.967 -0.853 . . . . 0.0 110.967 176.456 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 97.6 m -107.34 134.81 49.85 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-O 120.83 0.348 . . . . 0.0 111.241 178.092 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 65' ' ' CYS . . . . . . . . . . . . . 35.5 t -133.77 135.05 43.65 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.989 175.387 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 29.3 t -115.79 139.06 50.54 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.181 -175.296 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 53.9 tp -115.9 115.7 26.68 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.063 173.754 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 75.4 t60 -100.89 130.03 46.83 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.245 178.34 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 100.0 m -103.48 115.91 31.41 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.106 171.659 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 84.1 m -69.29 -39.93 78.04 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.241 -175.236 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -137.05 81.21 1.86 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.102 -177.425 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 47.3 t -76.4 107.56 8.75 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.123 -0.489 . . . . 0.0 111.21 179.874 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 54.6 p -116.26 -176.84 3.04 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.213 -179.946 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 95.9 mt -64.2 -24.77 67.79 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.448 -177.967 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 98.7 m-20 -78.18 -17.82 56.3 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.067 174.741 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 63.6 m-20 -95.17 -16.12 22.8 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.292 178.362 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 54.9 t0 -54.85 128.59 33.8 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.039 -0.528 . . . . 0.0 111.303 173.009 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 157.43 -163.4 32.49 Favored Glycine 0 CA--C 1.524 0.616 0 N-CA-C 111.214 -0.755 . . . . 0.0 111.214 -177.095 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 75.0 m-20 -105.27 106.75 17.38 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.816 0.341 . . . . 0.0 111.126 -174.011 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 80' ' ' TYR . . . . . . . . . . . . . 67.4 m-85 -79.68 69.11 5.92 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.283 175.58 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 91.0 m -63.53 132.76 52.31 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.266 -0.425 . . . . 0.0 111.203 -170.62 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 82' ' ' ILE . . . . . 0.433 HG23 ' HB3' ' A' ' 93' ' ' CYS . 3.5 tt -110.09 139.32 33.9 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-N 116.296 -0.411 . . . . 0.0 111.16 -178.923 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 83' ' ' MET . . . . . . . . . . . . . 63.6 tpp -119.96 120.06 35.27 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.19 -175.112 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -86.92 70.21 10.31 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.335 -0.393 . . . . 0.0 111.161 175.1 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -82.79 122.25 27.96 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.235 -0.438 . . . . 0.0 111.33 -175.429 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 86' ' ' ASN . . . . . 0.474 ' CB ' ' CD ' ' A' ' 87' ' ' PRO . 27.1 p-10 -145.09 178.73 1.34 Allowed Pre-proline 0 C--N 1.327 -0.371 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.156 172.845 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 87' ' ' PRO . . . . . 0.474 ' CD ' ' CB ' ' A' ' 86' ' ' ASN . 77.8 Cg_exo -58.99 -25.14 76.5 Favored 'Trans proline' 0 N--CA 1.456 -0.707 0 C-N-CA 121.795 1.664 . . . . 0.0 111.241 -175.014 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 97.0 mm-40 -93.05 -3.09 54.9 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.187 -171.168 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 139.76 -165.76 25.79 Favored Glycine 0 CA--C 1.523 0.587 0 N-CA-C 111.311 -0.716 . . . . 0.0 111.311 -179.458 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 40.8 ptt180 -148.2 148.76 30.89 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.809 0.337 . . . . 0.0 111.107 179.523 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 61.2 t -132.26 133.52 60.2 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.23 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.155 178.319 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 31.4 t -99.71 137.65 37.88 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.287 -179.582 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 93' ' ' CYS . . . . . 0.433 ' HB3' HG23 ' A' ' 82' ' ' ILE . 47.8 t -136.05 133.59 37.56 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.282 172.919 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 86.0 m -71.43 128.89 37.33 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.19 -173.246 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -100.97 59.92 0.64 Allowed Glycine 0 CA--C 1.524 0.622 0 N-CA-C 111.113 -0.795 . . . . 0.0 111.113 175.367 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 80.9 ttt180 -61.3 111.27 1.68 Allowed 'General case' 0 C--N 1.327 -0.389 0 CA-C-O 120.713 0.292 . . . . 0.0 111.313 -172.041 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 3.4 mp -116.65 119.89 36.91 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.161 173.349 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 98' ' ' MET . . . . . . . . . . . . . 65.9 ttp -107.96 130.23 55.06 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.299 -179.432 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 96.7 t -111.28 125.0 68.57 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.366 0 CA-C-O 121.027 0.442 . . . . 0.0 111.298 -177.299 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 95.2 mm-40 . . . . . 0 C--N 1.331 -0.227 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.324 -179.918 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.522 -0.107 0 CA-C-O 120.79 0.329 . . . . 0.0 111.21 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 77.8 Cg_exo -53.83 130.0 36.95 Favored 'Trans proline' 0 N--CA 1.458 -0.611 0 C-N-CA 121.738 1.625 . . . . 0.0 111.2 179.918 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 91.6 t80 -155.74 123.8 5.76 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.995 0.426 . . . . 0.0 111.049 174.71 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 53.7 m-85 -70.77 105.95 3.39 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.073 -0.512 . . . . 0.0 111.166 -178.084 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 15.5 pt-20 -71.51 -19.98 62.11 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.121 170.261 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 67.5 ttp -140.71 114.63 9.03 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.191 172.971 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 98.5 mttt -98.38 171.42 8.19 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.083 -0.508 . . . . 0.0 111.209 -175.384 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 96.0 mt -77.52 147.33 35.86 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.185 -179.354 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 97.3 mttt -105.03 165.05 11.34 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.291 -178.706 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 23.5 t-160 -89.85 109.97 20.93 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.165 176.694 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 96.3 m-85 -100.29 144.93 28.72 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.381 -0.372 . . . . 0.0 111.292 -175.734 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 97.3 mttt -111.64 90.63 3.39 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.207 176.06 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 19' ' ' ILE . . . . . 0.465 ' O ' ' HA ' ' A' ' 99' ' ' VAL . 42.8 mm -109.95 140.04 30.61 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.261 -169.433 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 49.8 m-85 -77.6 141.26 39.6 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.315 -0.402 . . . . 0.0 111.254 178.838 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 21.1 pt-20 -51.84 125.5 15.34 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.103 -0.498 . . . . 0.0 111.194 -179.325 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 97.7 -21.01 48.36 Favored Glycine 0 CA--C 1.526 0.78 0 N-CA-C 111.156 -0.778 . . . . 0.0 111.156 177.469 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 60.0 ttm -76.97 135.86 66.84 Favored Pre-proline 0 C--N 1.328 -0.346 0 CA-C-O 120.86 0.362 . . . . 0.0 111.306 -177.67 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 73.9 Cg_endo -71.53 150.38 57.35 Favored 'Trans proline' 0 N--CA 1.459 -0.554 0 C-N-CA 121.601 1.534 . . . . 0.0 111.15 175.823 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 7.8 p -152.56 132.72 3.91 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.239 0 CA-C-N 115.992 -0.549 . . . . 0.0 111.187 177.214 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 92.5 m -109.26 130.82 55.48 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.14 176.423 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 22.3 p90 -147.96 149.61 32.49 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.067 -0.515 . . . . 0.0 111.142 179.492 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 8.9 t -151.39 160.87 43.54 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.133 -163.369 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 27.1 p -139.57 172.66 12.48 Favored 'General case' 0 C--O 1.234 0.259 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.156 175.601 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 57.5 ttt85 -147.61 133.06 18.62 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 116.405 -0.361 . . . . 0.0 111.143 -177.877 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 10.6 p -115.9 128.27 73.23 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.423 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.188 -178.224 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -101.11 69.1 1.28 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.162 -177.696 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -110.46 -178.11 20.74 Favored Glycine 0 CA--C 1.522 0.518 0 N-CA-C 111.221 -0.752 . . . . 0.0 111.221 179.1 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 34' ' ' ASN . . . . . 0.428 ' HA ' ' C ' ' A' ' 35' ' ' PRO . 54.1 t-20 -158.16 108.39 1.72 Allowed Pre-proline 0 CA--C 1.511 -0.545 0 CA-C-O 121.212 0.53 . . . . 0.0 110.94 178.086 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 35' ' ' PRO . . . . . 0.428 ' C ' ' HA ' ' A' ' 34' ' ' ASN . 24.6 Cg_exo -73.21 164.87 85.86 Favored 'Cis proline' 0 N--CA 1.457 -0.623 0 C-N-CA 121.694 -2.211 . . . . 0.0 111.174 7.637 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 36' ' ' LYS . . . . . 0.438 ' HD2' ' N ' ' A' ' 36' ' ' LYS . 4.3 mptp? -59.92 111.9 4.59 Favored Pre-proline 0 C--N 1.33 -0.265 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.112 -176.373 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 37' ' ' PRO . . . . . 0.439 ' HB2' ' HB2' ' A' ' 84' ' ' ALA . 51.6 Cg_exo -59.72 146.32 95.79 Favored 'Trans proline' 0 N--CA 1.46 -0.49 0 C-N-CA 121.66 1.573 . . . . 0.0 111.088 -178.766 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 98.9 mttt -87.96 127.72 35.37 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.036 -0.529 . . . . 0.0 111.344 174.345 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 87.4 mt -97.15 116.21 38.84 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.039 -174.198 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 92.7 m-85 -103.32 144.83 30.85 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.269 -178.644 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 41' ' ' TRP . . . . . . . . . . . . . 87.7 m95 -105.75 134.62 48.57 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.236 -177.39 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 36.4 p90 -150.2 141.72 23.46 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.272 166.34 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 14.4 tmtt? -109.57 110.04 21.0 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.188 -173.669 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 93.0 m-20 54.98 33.27 19.82 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.301 -0.409 . . . . 0.0 111.176 -174.772 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 94.89 -0.85 64.93 Favored Glycine 0 CA--C 1.524 0.647 0 N-CA-C 111.218 -0.753 . . . . 0.0 111.218 176.991 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 96.9 mttt -94.6 99.9 11.96 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.827 0.346 . . . . 0.0 111.194 -178.611 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 66.3 tt0 -51.6 128.66 23.83 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.119 -177.95 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 97.3 mt -98.4 124.86 51.76 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.273 -178.756 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 30.3 t -86.41 132.88 41.64 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-N 116.336 -0.393 . . . . 0.0 111.197 175.68 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 52.1 Cg_exo -55.02 140.41 79.99 Favored 'Trans proline' 0 N--CA 1.457 -0.661 0 C-N-CA 121.538 1.492 . . . . 0.0 111.25 177.986 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 98.3 mttt 58.14 54.16 6.08 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.258 177.463 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 15.6 t -95.1 -161.71 0.88 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.143 178.995 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 99.5 m-20 -55.32 -44.91 76.28 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.292 -177.123 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 54' ' ' HIS . . . . . . . . . . . . . 99.3 m-70 -135.81 -4.96 2.2 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.349 -178.564 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 55' ' ' TYR . . . . . . . . . . . . . 18.2 m-30 -110.01 95.63 5.72 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.122 -172.913 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 96.3 m -97.56 115.05 27.11 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.092 -0.504 . . . . 0.0 111.165 178.141 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 98.0 mt -102.49 133.58 45.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.115 -178.681 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 70.8 tp60 -130.02 110.2 11.45 Favored 'General case' 0 C--O 1.234 0.289 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.091 174.053 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 43.1 ttm105 -102.32 99.98 10.11 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.208 -175.651 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 66.5 t0 -71.75 128.08 34.64 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.2 173.159 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 95.0 mt -66.55 -15.26 63.27 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.268 -174.974 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 22.8 t70 -64.52 -26.27 68.35 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.301 -0.408 . . . . 0.0 111.059 178.273 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 132.36 0.23 4.59 Favored Glycine 0 CA--C 1.524 0.601 0 N-CA-C 111.135 -0.786 . . . . 0.0 111.135 176.279 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 84.0 m -100.1 135.23 41.84 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.794 0.331 . . . . 0.0 111.231 177.975 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 65' ' ' CYS . . . . . . . . . . . . . 49.6 t -134.88 123.75 23.95 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.189 178.524 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 50.7 m -110.9 147.87 33.68 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.133 -174.065 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 59.6 tp -126.15 120.25 29.63 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.038 -0.528 . . . . 0.0 111.259 168.715 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 71.5 t60 -97.81 124.76 42.33 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.216 172.896 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 96.9 m -100.38 114.9 28.8 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.133 172.391 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 82.6 m -67.16 -40.08 86.59 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.155 -175.853 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -142.91 89.64 2.14 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.134 -177.173 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 22.9 t -78.05 80.07 4.49 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.137 -177.429 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 58.0 p -83.35 176.37 9.16 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.145 -178.975 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 93.9 mt -59.76 -31.27 69.5 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.16 -175.856 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 99.7 m-20 -72.9 -15.67 61.58 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.134 178.967 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 70.0 m-20 -92.21 -4.84 53.56 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.125 -0.488 . . . . 0.0 111.152 179.157 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 53.9 t0 -68.4 128.28 36.02 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.161 174.091 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 156.36 -164.03 32.28 Favored Glycine 0 CA--C 1.522 0.509 0 N-CA-C 111.185 -0.766 . . . . 0.0 111.185 -178.491 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 73.6 m-80 -97.63 110.2 22.81 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.989 0.423 . . . . 0.0 111.113 -173.826 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 80' ' ' TYR . . . . . . . . . . . . . 75.0 m-85 -81.73 60.36 4.62 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.149 172.615 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 76.0 m -65.03 135.73 55.94 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.209 -176.15 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 42.4 pt -121.31 159.77 23.14 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.152 -176.865 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 83' ' ' MET . . . . . . . . . . . . . 60.0 tpp -133.01 117.39 17.56 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.286 -0.415 . . . . 0.0 111.331 178.259 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 84' ' ' ALA . . . . . 0.439 ' HB2' ' HB2' ' A' ' 37' ' ' PRO . . . -95.09 106.76 18.79 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.38 -0.373 . . . . 0.0 110.972 174.808 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -114.11 133.94 55.22 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.312 -0.404 . . . . 0.0 111.258 -172.774 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 86' ' ' ASN . . . . . 0.501 ' CB ' ' CD ' ' A' ' 87' ' ' PRO . 23.7 p-10 -140.76 -179.87 1.09 Allowed Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.026 0.441 . . . . 0.0 111.055 170.637 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 87' ' ' PRO . . . . . 0.501 ' CD ' ' CB ' ' A' ' 86' ' ' ASN . 78.5 Cg_exo -59.31 -25.39 78.17 Favored 'Trans proline' 0 N--CA 1.458 -0.594 0 C-N-CA 121.691 1.594 . . . . 0.0 111.23 -175.1 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 98.1 mm-40 -94.12 -4.97 48.28 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.236 -169.802 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 144.9 -162.31 28.08 Favored Glycine 0 CA--C 1.522 0.502 0 N-CA-C 111.24 -0.744 . . . . 0.0 111.24 -178.098 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 41.7 ptt180 -150.35 158.63 44.37 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.587 0.232 . . . . 0.0 111.153 179.574 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 13.5 p -142.95 137.76 27.07 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.376 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.15 174.623 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 89.9 p -99.27 165.87 11.48 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.257 -177.271 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 93' ' ' CYS . . . . . . . . . . . . . 46.7 t -158.63 130.03 6.45 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.37 172.335 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 91.9 m -81.21 125.45 30.31 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.356 -175.824 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -103.74 56.9 0.57 Allowed Glycine 0 CA--C 1.523 0.578 0 N-CA-C 111.139 -0.784 . . . . 0.0 111.139 -179.073 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -60.08 110.05 1.11 Allowed 'General case' 0 C--N 1.327 -0.385 0 CA-C-O 120.711 0.291 . . . . 0.0 111.158 -178.257 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 2.5 mp -119.86 140.14 51.3 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.357 -0.383 . . . . 0.0 111.202 174.468 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 98' ' ' MET . . . . . . . . . . . . . 65.5 ttp -120.91 139.39 53.29 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.165 -173.175 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 99' ' ' VAL . . . . . 0.465 ' HA ' ' O ' ' A' ' 19' ' ' ILE . 85.0 t -116.48 135.07 57.93 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.222 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.279 -176.118 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 84.7 mt-30 . . . . . 0 C--N 1.329 -0.285 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.046 179.573 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.456 -0.173 0 CA-C-O 120.718 0.294 . . . . 0.0 111.143 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 34.6 Cg_endo -63.93 146.56 91.56 Favored 'Trans proline' 0 N--CA 1.459 -0.535 0 C-N-CA 121.541 1.494 . . . . 0.0 111.269 179.688 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 87.2 t80 -163.36 140.03 7.17 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.317 -0.401 . . . . 0.0 111.208 -176.862 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 72.3 m-85 -89.89 99.17 12.23 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.126 175.938 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 20.2 pt-20 -75.99 -15.34 60.17 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.161 175.887 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 66.1 ttp -137.59 107.99 6.5 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.167 167.76 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 99.5 mttt -95.37 167.35 11.39 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.193 -169.46 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 92.7 mt -83.05 172.29 12.88 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.278 176.677 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 64.0 pttt -135.04 178.79 6.75 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.172 175.161 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 18.2 t-160 -72.84 108.75 5.96 Favored 'General case' 0 C--O 1.234 0.247 0 CA-C-N 116.094 -0.503 . . . . 0.0 111.118 176.078 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 77.8 m-85 -96.41 145.34 25.73 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.421 -0.354 . . . . 0.0 111.414 -176.281 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 99.0 mttt -135.2 139.74 44.76 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.31 -0.404 . . . . 0.0 111.209 177.057 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 10.0 tp -148.38 150.04 14.6 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-N 116.063 -0.517 . . . . 0.0 111.253 -178.229 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 14.9 m-30 -75.02 144.96 42.82 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.412 -0.358 . . . . 0.0 111.243 171.124 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 87.7 tt0 -54.98 124.96 18.42 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 121.027 0.442 . . . . 0.0 111.094 -177.724 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 104.3 -16.21 49.45 Favored Glycine 0 CA--C 1.524 0.613 0 N-CA-C 111.103 -0.799 . . . . 0.0 111.103 171.593 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 91.0 mtp -85.32 154.97 60.16 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 120.931 0.396 . . . . 0.0 111.286 -176.098 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 81.3 Cg_endo -74.91 153.82 42.49 Favored 'Trans proline' 0 N--CA 1.458 -0.615 0 C-N-CA 121.679 1.586 . . . . 0.0 111.289 177.879 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 48.4 t -134.95 123.92 41.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.088 -0.505 . . . . 0.0 111.21 178.285 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 80.8 p -118.45 128.09 54.28 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.085 -179.191 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 35.3 p90 -156.71 161.29 39.84 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.199 175.928 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 13.2 t -153.17 162.08 41.71 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.169 -172.177 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 37.4 t -147.21 147.6 30.63 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.104 -178.191 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 60.8 ttt85 -124.25 136.32 54.06 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.142 -173.93 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 26.9 m -111.87 160.7 11.08 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.432 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.184 -179.388 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -144.81 77.9 1.55 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.229 177.681 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -122.14 -171.7 14.0 Favored Glycine 0 CA--C 1.522 0.474 0 N-CA-C 111.24 -0.744 . . . . 0.0 111.24 176.746 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 34' ' ' ASN . . . . . 0.489 ' HA ' ' HA ' ' A' ' 35' ' ' PRO . 54.1 t-20 -155.25 105.87 2.24 Favored Pre-proline 0 CA--C 1.51 -0.575 0 CA-C-O 121.154 0.502 . . . . 0.0 110.935 178.741 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 35' ' ' PRO . . . . . 0.489 ' HA ' ' HA ' ' A' ' 34' ' ' ASN . 27.5 Cg_exo -70.88 157.16 95.43 Favored 'Cis proline' 0 N--CA 1.458 -0.609 0 C-N-CA 121.563 -2.266 . . . . 0.0 111.202 6.059 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 98.6 mttt -56.49 126.11 68.62 Favored Pre-proline 0 C--N 1.331 -0.216 0 CA-C-N 116.092 -0.504 . . . . 0.0 111.036 179.766 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 37' ' ' PRO . . . . . 0.471 ' HA ' ' HB3' ' A' ' 86' ' ' ASN . 78.5 Cg_exo -56.72 145.46 82.33 Favored 'Trans proline' 0 N--CA 1.459 -0.556 0 C-N-CA 121.565 1.51 . . . . 0.0 111.234 -176.741 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 98.8 mttt -91.25 97.12 10.93 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.386 173.257 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 94.5 mt -61.28 120.05 6.43 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.144 -171.485 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 80.3 m-85 -112.13 147.65 35.65 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.239 173.609 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 41' ' ' TRP . . . . . . . . . . . . . 92.6 m95 -116.49 139.92 49.94 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-O 121.036 0.446 . . . . 0.0 111.235 178.919 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 42.7 p90 -151.9 146.44 25.65 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.101 -0.5 . . . . 0.0 111.222 170.002 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 13.1 tmtt? -110.11 109.97 20.68 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.194 -173.627 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 92.0 m-20 54.15 33.7 18.5 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.148 -176.963 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 96.83 -1.92 61.7 Favored Glycine 0 CA--C 1.524 0.633 0 N-CA-C 111.194 -0.762 . . . . 0.0 111.194 176.767 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 96.8 mttt -95.26 99.93 11.8 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.865 0.365 . . . . 0.0 111.153 -177.901 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 66.4 tt0 -50.62 127.53 18.19 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.298 -0.41 . . . . 0.0 111.166 -178.777 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 95.5 mt -96.25 124.07 48.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.203 -177.999 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 31.0 t -84.81 131.75 48.3 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.216 174.504 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 55.1 Cg_exo -54.09 137.12 69.42 Favored 'Trans proline' 0 N--CA 1.457 -0.636 0 C-N-CA 121.682 1.588 . . . . 0.0 111.184 178.156 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 97.8 mttt 59.11 57.65 3.42 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.264 -0.426 . . . . 0.0 111.229 178.401 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 14.1 t -94.99 -161.58 0.87 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.101 179.056 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 99.4 m-20 -55.12 -45.17 75.53 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.226 -178.235 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 54' ' ' HIS . . . . . . . . . . . . . 99.3 m-70 -136.52 -6.38 1.98 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.296 179.227 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 55' ' ' TYR . . . . . . . . . . . . . 21.9 m-30 -105.61 95.93 6.15 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.12 -172.427 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 97.9 m -96.43 123.24 40.01 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.116 179.685 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 98.7 mt -110.57 132.62 58.48 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.313 -0.403 . . . . 0.0 111.084 178.061 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 70.0 tp60 -130.0 110.12 11.41 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.041 174.913 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 40.8 ttm105 -101.8 99.94 10.23 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.249 -175.78 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 66.3 t0 -72.4 131.59 42.81 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.315 -0.402 . . . . 0.0 111.176 174.304 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 95.3 mt -67.75 -13.1 61.83 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.033 -0.53 . . . . 0.0 111.21 -175.459 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 99.3 m-20 -63.88 -26.78 68.76 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.394 -0.366 . . . . 0.0 111.055 177.095 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 128.42 3.35 5.67 Favored Glycine 0 CA--C 1.524 0.595 0 N-CA-C 110.961 -0.856 . . . . 0.0 110.961 177.331 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 89.4 m -108.77 137.34 46.86 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.796 0.331 . . . . 0.0 111.245 177.4 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 65' ' ' CYS . . . . . . . . . . . . . 35.9 t -134.6 134.88 41.75 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.109 175.092 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 48.9 m -110.05 146.62 35.04 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.175 -176.469 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 57.7 tp -124.48 111.72 16.04 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.225 172.681 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 56.1 m170 -108.82 122.64 47.6 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.331 -176.216 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 98.2 m -96.83 120.1 36.53 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.133 175.469 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 80.2 m -65.02 -45.12 86.8 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.06 -0.518 . . . . 0.0 111.237 -175.967 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -144.4 88.58 1.94 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.175 -175.884 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 47.3 t -77.13 109.06 10.67 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.186 -177.631 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 52.9 p -110.26 -178.72 3.58 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 116.322 -0.399 . . . . 0.0 111.111 179.538 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 97.2 mt -60.87 -28.69 69.05 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.054 -0.521 . . . . 0.0 111.163 -178.361 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 98.9 m-20 -76.88 -17.54 58.89 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.04 176.758 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 67.6 m-20 -94.92 -14.95 24.01 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.268 178.792 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 57.1 t0 -55.89 127.98 32.88 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.149 173.883 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 160.72 -163.62 34.22 Favored Glycine 0 CA--C 1.524 0.636 0 N-CA-C 111.163 -0.775 . . . . 0.0 111.163 -179.217 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 73.7 m-80 -106.38 108.99 20.78 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.928 0.394 . . . . 0.0 111.135 -174.502 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 80' ' ' TYR . . . . . . . . . . . . . 56.7 m-85 -84.0 70.22 10.43 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.214 177.568 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 85.5 m -64.87 135.19 55.45 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.241 -170.847 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 4.6 tt -108.5 139.97 28.87 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.141 -179.779 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 83' ' ' MET . . . . . . . . . . . . . 64.1 ttp -121.3 120.39 34.96 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.369 -176.4 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -88.73 69.41 8.72 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.348 -0.387 . . . . 0.0 111.039 175.676 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -78.92 124.05 27.86 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.313 -0.403 . . . . 0.0 111.234 -175.84 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 86' ' ' ASN . . . . . 0.471 ' HB3' ' HA ' ' A' ' 37' ' ' PRO . 27.1 p-10 -147.35 178.12 1.55 Allowed Pre-proline 0 C--N 1.329 -0.31 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.238 172.306 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 87' ' ' PRO . . . . . 0.457 ' CD ' ' CB ' ' A' ' 86' ' ' ASN . 76.8 Cg_exo -58.45 -25.05 72.05 Favored 'Trans proline' 0 N--CA 1.456 -0.722 0 C-N-CA 121.788 1.658 . . . . 0.0 111.233 -175.399 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 96.8 mm-40 -92.89 -5.21 51.4 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.16 -170.561 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 143.59 -154.24 25.4 Favored Glycine 0 CA--C 1.525 0.662 0 N-CA-C 111.243 -0.743 . . . . 0.0 111.243 179.953 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 40.5 ptt180 -155.95 149.28 24.64 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.551 0.215 . . . . 0.0 111.185 177.89 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 59.4 t -128.07 130.91 69.81 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.276 176.826 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 31.4 t -103.28 133.93 47.53 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.326 -179.566 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 93' ' ' CYS . . . . . . . . . . . . . 52.6 t -135.39 131.81 36.77 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.297 174.424 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 85.4 m -71.25 128.01 34.48 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.361 -0.382 . . . . 0.0 111.221 -173.708 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -101.61 58.22 0.64 Allowed Glycine 0 CA--C 1.524 0.641 0 N-CA-C 111.041 -0.824 . . . . 0.0 111.041 175.635 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 80.8 ttt180 -58.53 123.07 15.01 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.707 0.289 . . . . 0.0 111.244 -173.49 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 56.8 tp -130.14 114.18 15.4 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.078 172.121 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 98' ' ' MET . . . . . . . . . . . . . 98.3 mmm -99.93 141.28 32.96 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.13 -0.487 . . . . 0.0 111.107 179.731 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 85.9 t -116.38 119.45 61.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.047 -0.524 . . . . 0.0 111.242 -177.132 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 62.8 tp60 . . . . . 0 C--N 1.331 -0.225 0 CA-C-N 116.092 -0.504 . . . . 0.0 111.158 178.158 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.455 -0.21 0 CA-C-O 120.825 0.345 . . . . 0.0 111.197 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 76.5 Cg_exo -54.23 130.76 41.38 Favored 'Trans proline' 0 C--N 1.327 -0.579 0 C-N-CA 121.678 1.586 . . . . 0.0 111.117 -179.942 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 90.3 t80 -144.13 120.25 10.77 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.22 177.65 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 78.2 m-85 -68.71 83.94 0.29 Allowed 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.078 -0.51 . . . . 0.0 111.234 -179.377 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 16.5 pt-20 -64.89 -20.65 66.55 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.197 176.711 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 67.4 ttp -138.06 111.35 7.96 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.153 169.991 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 99.6 mttt -95.36 165.08 12.55 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.19 -172.242 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 90.4 mt -79.59 157.84 27.25 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.293 176.39 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 97.2 mttt -113.64 175.65 5.37 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.24 178.647 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 16.3 t-160 -78.03 106.65 10.04 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.147 173.227 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 76.1 m-85 -97.45 142.62 29.07 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.233 -173.015 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 99.6 mttt -136.6 119.39 16.2 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.294 -0.412 . . . . 0.0 111.239 178.239 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 2.8 pp -137.29 178.59 4.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.194 177.545 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 91.7 m-85 -102.27 145.85 28.85 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.237 -177.814 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . 0.516 ' HG3' ' O ' ' A' ' 21' ' ' GLU . 11.0 pt-20 -54.77 124.98 18.2 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.117 -176.455 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 101.17 -12.85 58.8 Favored Glycine 0 CA--C 1.524 0.634 0 N-CA-C 111.181 -0.767 . . . . 0.0 111.181 173.783 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 98.4 mmm -87.43 150.18 48.38 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 120.883 0.373 . . . . 0.0 111.361 -178.35 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 74.0 Cg_endo -71.32 154.33 61.25 Favored 'Trans proline' 0 N--CA 1.46 -0.498 0 C-N-CA 121.65 1.567 . . . . 0.0 111.264 173.961 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 8.3 p -152.07 130.1 2.59 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.365 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.147 176.256 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 87.2 m -112.09 130.0 56.03 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.244 179.814 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 35.2 p90 -148.46 150.38 33.36 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.246 176.832 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 9.3 t -150.83 155.86 40.07 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.308 -0.406 . . . . 0.0 111.123 -166.307 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 37.7 t -144.79 147.08 32.48 Favored 'General case' 0 C--O 1.234 0.244 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.192 -178.872 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 78.4 ttt180 -127.61 137.87 52.69 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.365 -0.379 . . . . 0.0 111.047 -173.431 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 60.6 t -124.99 125.91 70.33 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.222 -173.312 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -88.14 65.47 8.15 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.169 177.269 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -107.1 162.68 13.38 Favored Glycine 0 CA--C 1.523 0.538 0 N-CA-C 111.196 -0.761 . . . . 0.0 111.196 -177.466 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 34' ' ' ASN . . . . . 0.438 ' HA ' ' HA ' ' A' ' 35' ' ' PRO . 54.0 t-20 -155.06 108.28 2.29 Favored Pre-proline 0 CA--C 1.511 -0.52 0 CA-C-O 121.227 0.537 . . . . 0.0 110.927 178.795 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 35' ' ' PRO . . . . . 0.438 ' HA ' ' HA ' ' A' ' 34' ' ' ASN . 25.1 Cg_exo -74.64 163.35 90.69 Favored 'Cis proline' 0 N--CA 1.458 -0.601 0 C-N-CA 121.484 -2.298 . . . . 0.0 111.233 9.522 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 66.8 mmtt -54.43 117.25 12.77 Favored Pre-proline 0 C--O 1.232 0.176 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.021 179.288 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 50.3 Cg_exo -58.59 148.3 82.45 Favored 'Trans proline' 0 N--CA 1.458 -0.579 0 C-N-CA 121.687 1.592 . . . . 0.0 111.234 -178.154 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 99.5 mttt -80.03 69.94 6.51 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.209 176.665 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 92.9 mt -41.96 118.45 0.21 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.23 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.181 -170.291 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 75.6 m-85 -107.35 149.51 27.76 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.33 -0.395 . . . . 0.0 111.365 175.938 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 41' ' ' TRP . . . . . . . . . . . . . 83.8 m95 -122.53 139.99 53.27 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-O 121.095 0.474 . . . . 0.0 111.175 176.932 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 39.2 p90 -152.76 146.43 25.09 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.08 -0.509 . . . . 0.0 111.227 172.288 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 43' ' ' LYS . . . . . 0.422 ' HB2' HD12 ' A' ' 48' ' ' ILE . 11.7 tmtt? -110.04 109.99 20.74 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.241 -174.661 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 92.1 m-20 54.27 33.55 18.5 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.256 -176.54 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 96.25 -0.32 61.89 Favored Glycine 0 CA--C 1.524 0.646 0 N-CA-C 111.29 -0.724 . . . . 0.0 111.29 176.512 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 96.8 mttt -95.04 100.18 12.05 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.924 0.392 . . . . 0.0 111.172 -178.666 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 66.3 tt0 -52.46 129.56 29.1 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.259 -178.195 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 48' ' ' ILE . . . . . 0.422 HD12 ' HB2' ' A' ' 43' ' ' LYS . 96.3 mt -105.12 124.99 60.22 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.055 -0.521 . . . . 0.0 111.044 -178.608 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 29.8 t -87.09 135.74 34.68 Favored Pre-proline 0 C--N 1.327 -0.379 0 CA-C-N 116.246 -0.433 . . . . 0.0 111.22 173.831 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_exo -54.81 142.41 74.41 Favored 'Trans proline' 0 N--CA 1.457 -0.628 0 C-N-CA 121.692 1.595 . . . . 0.0 111.242 178.206 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 97.8 mttt 59.4 56.71 3.64 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.344 -0.389 . . . . 0.0 111.211 178.447 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 12.6 t -94.86 -161.12 0.83 Allowed 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.344 178.251 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 99.4 m-20 -55.01 -45.94 75.15 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.268 -0.423 . . . . 0.0 111.225 -178.518 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 54' ' ' HIS . . . . . . . . . . . . . 99.8 m-70 -136.56 -6.39 1.97 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.389 177.995 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 55' ' ' TYR . . . . . . . . . . . . . 22.3 m-30 -101.15 93.16 5.32 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.117 -173.376 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 98.8 m -95.1 114.97 26.83 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.175 179.095 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 92.8 mt -106.81 115.15 47.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.345 -0.389 . . . . 0.0 111.148 -179.563 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 98.6 mm-40 -107.76 109.49 21.07 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.157 174.526 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 38.3 ttm105 -99.97 100.02 10.85 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.311 -0.404 . . . . 0.0 111.205 -176.498 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 62.8 t0 -73.17 135.84 44.69 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.355 -0.384 . . . . 0.0 111.24 176.352 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 95.5 mt -69.73 -10.2 57.4 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.114 -177.353 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 99.0 m-20 -67.05 -17.18 64.78 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.152 175.636 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 113.19 13.77 10.52 Favored Glycine 0 CA--C 1.525 0.679 0 N-CA-C 111.081 -0.807 . . . . 0.0 111.081 176.189 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 10.2 t -125.44 141.17 52.21 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.833 0.349 . . . . 0.0 111.191 179.247 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 65' ' ' CYS . . . . . . . . . . . . . 36.3 t -137.2 138.36 40.1 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.154 -177.49 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 42.3 t -118.35 126.73 52.72 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.25 -177.775 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . 0.598 ' C ' HD21 ' A' ' 67' ' ' LEU . 4.1 tt -100.15 82.6 2.55 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.147 177.293 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 70.6 t60 -73.24 120.03 18.3 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.357 -0.383 . . . . 0.0 111.349 179.983 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 89.5 m -100.57 121.04 40.93 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.052 -0.522 . . . . 0.0 111.11 177.283 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 80.6 m -69.55 -44.22 71.35 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.169 -175.1 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -144.93 87.84 1.86 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.213 -175.819 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 43.1 t -82.56 106.76 14.69 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.183 179.986 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 45.3 p -100.69 179.94 4.27 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.075 -0.511 . . . . 0.0 111.203 -178.434 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 94.0 mt -59.13 -32.21 69.64 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.107 -179.379 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 98.9 m-20 -74.99 -15.64 60.65 Favored 'General case' 0 N--CA 1.453 -0.287 0 CA-C-N 116.297 -0.411 . . . . 0.0 111.111 178.477 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 70.2 m-20 -95.19 -2.61 49.35 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.295 178.796 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 57.8 t0 -66.18 127.18 31.16 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.19 176.546 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 161.9 -163.47 34.79 Favored Glycine 0 CA--C 1.525 0.699 0 N-CA-C 111.289 -0.724 . . . . 0.0 111.289 -179.073 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 73.6 m-80 -105.48 109.16 21.03 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 120.861 0.362 . . . . 0.0 111.205 -173.517 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 80' ' ' TYR . . . . . . . . . . . . . 27.9 m-85 -83.68 70.02 10.25 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.088 178.099 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 88.3 m -64.77 134.64 54.56 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.226 -172.485 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 1.8 tt -107.45 140.07 27.03 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.266 -0.425 . . . . 0.0 111.146 177.373 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 83' ' ' MET . . . . . . . . . . . . . 65.9 ttp -122.47 119.94 32.44 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.316 -178.561 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -90.94 79.92 5.83 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.275 -0.421 . . . . 0.0 111.086 178.096 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -92.34 119.13 31.6 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.208 -175.64 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 86' ' ' ASN . . . . . 0.491 ' CB ' ' CD ' ' A' ' 87' ' ' PRO . 21.7 p-10 -140.12 179.89 1.16 Allowed Pre-proline 0 C--N 1.329 -0.289 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.221 172.624 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 87' ' ' PRO . . . . . 0.491 ' CD ' ' CB ' ' A' ' 86' ' ' ASN . 75.6 Cg_exo -58.93 -26.09 79.79 Favored 'Trans proline' 0 N--CA 1.456 -0.704 0 C-N-CA 121.706 1.604 . . . . 0.0 111.249 -174.895 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 96.8 mm-40 -90.24 -4.96 56.87 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.173 -171.976 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 138.53 -172.96 22.78 Favored Glycine 0 CA--C 1.523 0.587 0 N-CA-C 111.234 -0.746 . . . . 0.0 111.234 179.468 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 41.4 ptt180 -144.3 157.52 44.23 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.724 0.297 . . . . 0.0 111.074 -177.751 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 9.2 p -159.83 141.29 4.33 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.196 -179.868 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 67.7 m -111.31 152.12 27.59 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.292 -171.587 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 93' ' ' CYS . . . . . . . . . . . . . 44.0 t -140.46 135.0 31.54 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.314 172.985 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 87.3 m -70.17 129.36 39.18 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.164 -172.98 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -103.98 55.88 0.6 Allowed Glycine 0 CA--C 1.523 0.583 0 N-CA-C 111.211 -0.756 . . . . 0.0 111.211 176.701 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 78.5 ttt180 -53.52 113.19 1.08 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.671 0.272 . . . . 0.0 111.369 -175.407 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 61.4 tp -121.96 109.94 15.22 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.351 -0.386 . . . . 0.0 111.128 172.302 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 98' ' ' MET . . . . . . . . . . . . . 99.0 mmm -96.28 145.19 25.79 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.11 -0.495 . . . . 0.0 111.089 179.866 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 59.2 t -123.48 129.89 74.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-O 121.083 0.468 . . . . 0.0 111.057 -176.757 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 99.5 mm-40 . . . . . 0 C--N 1.331 -0.198 0 CA-C-N 116.07 -0.514 . . . . 0.0 111.26 179.608 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.457 -0.083 0 CA-C-O 120.766 0.317 . . . . 0.0 111.173 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 63.4 Cg_exo -54.66 133.02 54.88 Favored 'Trans proline' 0 N--CA 1.459 -0.537 0 C-N-CA 121.64 1.56 . . . . 0.0 111.248 179.868 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 89.2 t80 -150.93 123.92 8.72 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.282 -0.417 . . . . 0.0 111.149 176.86 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 68.7 m-85 -68.98 84.98 0.33 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.172 179.494 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 16.6 pt-20 -63.8 -21.7 66.55 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.168 174.65 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 66.4 ttp -131.58 112.09 12.31 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.217 167.469 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 98.8 mttt -96.02 165.75 12.1 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.334 -170.264 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 94.1 mt -84.39 170.77 13.24 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.295 177.198 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 64.1 pttt -134.93 178.78 6.76 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.253 176.299 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 18.1 t-160 -72.27 108.14 5.26 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.076 -0.511 . . . . 0.0 111.172 174.477 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 85.1 m-85 -95.17 143.72 26.37 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.31 -0.404 . . . . 0.0 111.268 -175.827 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 99.1 mttt -133.96 138.13 45.28 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.364 177.692 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 10.5 tp -148.93 150.66 13.81 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.366 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.142 -178.1 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 59.6 m-85 -79.22 148.18 32.32 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.318 174.403 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 88.5 tt0 -54.6 123.3 12.73 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.209 -177.326 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 99.97 -13.2 60.65 Favored Glycine 0 CA--C 1.522 0.502 0 N-CA-C 111.254 -0.739 . . . . 0.0 111.254 171.542 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 97.8 mmm -84.98 154.49 60.82 Favored Pre-proline 0 C--N 1.328 -0.331 0 CA-C-O 120.839 0.352 . . . . 0.0 111.345 -176.651 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 72.6 Cg_endo -76.29 154.08 36.26 Favored 'Trans proline' 0 C--N 1.328 -0.504 0 C-N-CA 121.632 1.554 . . . . 0.0 111.192 -179.098 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 57.7 t -134.13 125.4 48.09 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.068 178.069 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 91.4 m -127.19 124.67 39.53 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.249 -179.125 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 51.5 p90 -158.36 164.98 35.81 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.198 172.64 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 11.6 t -146.32 161.65 39.86 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.136 -171.366 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 21.1 t -141.08 142.4 34.15 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.137 -177.941 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 44.2 ttm180 -123.09 137.18 54.99 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.295 -0.412 . . . . 0.0 111.215 -175.099 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 67.5 t -124.49 125.17 69.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.264 -173.717 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -86.61 65.24 8.93 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.254 177.95 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -108.61 160.17 13.83 Favored Glycine 0 CA--C 1.521 0.45 0 N-CA-C 111.231 -0.748 . . . . 0.0 111.231 -178.116 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 34' ' ' ASN . . . . . 0.44 ' HA ' ' HA ' ' A' ' 35' ' ' PRO . 54.1 t-20 -155.03 108.04 2.29 Favored Pre-proline 0 CA--C 1.51 -0.567 0 CA-C-O 121.217 0.532 . . . . 0.0 110.988 178.541 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 35' ' ' PRO . . . . . 0.44 ' HA ' ' HA ' ' A' ' 34' ' ' ASN . 24.6 Cg_exo -74.53 168.98 75.45 Favored 'Cis proline' 0 N--CA 1.456 -0.687 0 C-N-CA 121.579 -2.259 . . . . 0.0 111.211 9.348 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 3.1 mptp? -60.01 115.8 14.57 Favored Pre-proline 0 C--N 1.331 -0.197 0 CA-C-N 116.004 -0.544 . . . . 0.0 111.059 -178.872 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 52.5 Cg_exo -59.06 150.85 70.49 Favored 'Trans proline' 0 N--CA 1.458 -0.613 0 C-N-CA 121.618 1.546 . . . . 0.0 111.246 -176.213 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 99.2 mttt -81.38 81.75 7.43 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.29 176.016 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 96.2 mt -59.87 123.68 12.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.094 -174.629 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 75.1 m-85 -117.63 144.95 44.69 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.244 174.32 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 41' ' ' TRP . . . . . . . . . . . . . 93.8 m95 -107.79 140.93 40.14 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.245 173.037 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 38.8 p90 -150.33 146.04 26.5 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.353 171.14 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 12.0 tmtt? -110.06 109.99 20.73 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.204 -173.083 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 89.5 m-20 53.79 33.23 16.48 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.144 -176.313 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 96.72 -0.24 60.94 Favored Glycine 0 CA--C 1.525 0.718 0 N-CA-C 111.026 -0.83 . . . . 0.0 111.026 176.673 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 96.9 mttt -95.09 100.33 12.17 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 120.747 0.308 . . . . 0.0 111.115 -178.512 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 66.3 tt0 -51.51 129.03 24.57 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.338 -0.392 . . . . 0.0 111.192 -178.024 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 94.4 mt -100.07 124.94 53.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.167 -179.331 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 30.3 t -87.84 133.03 38.45 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.269 174.296 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_exo -54.7 140.93 76.7 Favored 'Trans proline' 0 N--CA 1.457 -0.67 0 C-N-CA 121.683 1.589 . . . . 0.0 111.242 178.159 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 98.1 mttt 58.73 54.62 5.15 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.197 177.371 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 14.8 t -95.02 -162.19 0.93 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.231 178.488 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 99.6 m-20 -55.74 -45.83 77.94 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.29 -0.414 . . . . 0.0 111.168 -177.631 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 54' ' ' HIS . . . . . . . . . . . . . 99.4 m-70 -135.85 -4.93 2.2 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.11 -0.495 . . . . 0.0 111.206 179.565 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 55' ' ' TYR . . . . . . . . . . . . . 22.0 m-30 -107.38 95.5 5.75 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-O 121.131 0.491 . . . . 0.0 111.082 -173.437 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 98.0 m -99.07 124.51 44.13 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-N 116.059 -0.518 . . . . 0.0 111.11 179.751 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 96.2 mt -114.21 124.52 70.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.312 -0.404 . . . . 0.0 111.081 -179.312 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 99.2 mm-40 -103.84 133.77 48.26 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.133 173.813 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 99.6 mtt180 -116.0 105.79 13.04 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.367 -0.379 . . . . 0.0 111.173 -174.601 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 67.3 t0 -90.73 119.97 31.4 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.328 -0.397 . . . . 0.0 111.273 172.474 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 95.8 mt -70.14 -7.81 44.64 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.217 -170.576 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 96.8 m-20 -69.89 -16.96 63.32 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.322 -0.399 . . . . 0.0 111.014 176.804 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 120.51 22.68 3.03 Favored Glycine 0 CA--C 1.524 0.634 0 N-CA-C 111.024 -0.83 . . . . 0.0 111.024 179.249 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 35.1 m -125.53 142.84 51.29 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-O 120.844 0.354 . . . . 0.0 111.326 -179.145 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 65' ' ' CYS . . . . . . . . . . . . . 20.4 t -140.89 138.08 33.65 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.235 -0.438 . . . . 0.0 111.086 178.35 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 33.3 t -120.73 137.51 54.45 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.065 -0.516 . . . . 0.0 111.303 -174.62 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 64.9 tp -114.87 123.06 48.2 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.193 179.479 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 77.3 t60 -118.19 121.58 40.85 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.255 178.753 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 95.8 m -98.37 119.68 37.48 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.037 -0.529 . . . . 0.0 111.145 171.904 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 79.9 m -64.51 -45.11 88.65 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.277 -175.989 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -144.79 88.3 1.9 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.078 -0.51 . . . . 0.0 111.19 -176.626 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 47.6 t -76.48 107.25 8.62 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.016 -0.538 . . . . 0.0 111.203 -177.274 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 52.3 p -107.06 -179.73 4.02 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.209 -179.685 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 97.3 mt -61.69 -26.77 68.24 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.229 -178.188 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 98.8 m-20 -77.81 -17.81 57.05 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.099 176.132 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 69.0 m-20 -93.97 -13.97 26.44 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.218 178.639 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 57.1 t0 -56.83 127.29 30.93 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.203 174.855 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 161.62 -164.52 35.19 Favored Glycine 0 CA--C 1.525 0.698 0 N-CA-C 111.191 -0.764 . . . . 0.0 111.191 -179.736 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 74.2 m-80 -104.95 108.59 20.19 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-O 120.84 0.353 . . . . 0.0 111.227 -173.95 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 80' ' ' TYR . . . . . . . . . . . . . 52.8 m-85 -84.76 70.47 10.82 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.186 178.331 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 86.5 m -65.05 135.11 55.19 Favored 'General case' 0 C--O 1.234 0.261 0 CA-C-N 116.264 -0.425 . . . . 0.0 111.089 -172.938 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 2.7 tt -108.51 139.96 28.9 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.392 0 CA-C-O 120.968 0.413 . . . . 0.0 111.044 177.841 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 83' ' ' MET . . . . . . . . . . . . . 60.4 ttm -126.78 123.34 37.17 Favored 'General case' 0 C--N 1.332 -0.169 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.258 179.146 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -106.23 92.55 4.18 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.288 -0.415 . . . . 0.0 111.175 178.739 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -102.62 128.93 49.09 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.287 -173.934 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 86' ' ' ASN . . . . . 0.501 ' CB ' ' CD ' ' A' ' 87' ' ' PRO . 22.7 p-10 -141.45 -179.93 1.09 Allowed Pre-proline 0 C--N 1.326 -0.425 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.258 172.355 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 87' ' ' PRO . . . . . 0.501 ' CD ' ' CB ' ' A' ' 86' ' ' ASN . 71.5 Cg_exo -57.91 -25.82 71.52 Favored 'Trans proline' 0 N--CA 1.456 -0.699 0 C-N-CA 121.605 1.537 . . . . 0.0 111.418 -174.676 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 97.9 mm-40 -91.6 -5.11 54.49 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.029 -0.532 . . . . 0.0 111.083 -171.274 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 140.83 -169.15 25.02 Favored Glycine 0 CA--C 1.524 0.651 0 N-CA-C 111.27 -0.732 . . . . 0.0 111.27 -179.309 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 41.1 ptt180 -144.99 159.99 42.07 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.614 0.245 . . . . 0.0 111.224 -179.417 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 14.6 p -152.52 140.0 13.49 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.071 179.145 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 67.0 m -120.12 152.7 37.24 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.918 0.389 . . . . 0.0 111.369 -173.714 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 93' ' ' CYS . . . . . . . . . . . . . 45.5 t -147.42 139.83 24.6 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.284 175.671 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 86.5 m -77.71 127.27 32.18 Favored 'General case' 0 C--O 1.234 0.249 0 CA-C-N 116.302 -0.408 . . . . 0.0 111.321 -173.378 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -99.64 55.44 0.91 Allowed Glycine 0 CA--C 1.524 0.612 0 N-CA-C 111.166 -0.774 . . . . 0.0 111.166 177.355 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 79.9 ttt180 -52.35 115.34 1.7 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.642 0.258 . . . . 0.0 111.252 -177.639 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 61.3 tp -124.47 110.03 14.0 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.222 172.609 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 98' ' ' MET . . . . . . . . . . . . . 98.9 mmm -97.61 141.56 30.49 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.204 -179.951 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 76.3 t -117.22 128.71 74.5 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.264 -0.426 . . . . 0.0 111.205 -176.238 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 99.2 mm-40 . . . . . 0 C--N 1.33 -0.271 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.241 177.862 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.126 0 CA-C-O 120.824 0.345 . . . . 0.0 111.187 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 69.5 Cg_exo -54.84 129.71 36.65 Favored 'Trans proline' 0 N--CA 1.458 -0.583 0 C-N-CA 121.832 1.688 . . . . 0.0 111.236 -179.88 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 90.1 t80 -153.44 123.43 6.91 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.284 -0.416 . . . . 0.0 111.139 172.832 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 35.4 m-85 -70.09 93.32 0.8 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.083 -0.508 . . . . 0.0 111.143 -175.798 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 17.0 pt-20 -63.06 -20.08 65.0 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.15 174.423 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 66.6 ttp -136.1 101.5 4.73 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.143 171.9 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 98.8 mttt -88.12 167.74 13.38 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.22 -172.632 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 95.7 mt -79.16 154.84 28.99 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.209 176.949 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 97.5 mttt -115.01 179.76 3.86 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.087 -0.506 . . . . 0.0 111.247 177.009 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 19.9 t-160 -74.81 110.04 8.77 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.101 -0.499 . . . . 0.0 111.161 173.498 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 69.5 m-85 -101.58 147.44 26.4 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.331 -0.395 . . . . 0.0 111.16 -174.8 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 98.9 mttt -135.07 140.01 45.21 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.244 177.285 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 10.7 tp -150.0 149.56 14.44 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.369 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.035 -178.52 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 56.2 m-85 -77.43 145.93 36.85 Favored 'General case' 0 C--N 1.332 -0.179 0 CA-C-N 116.134 -0.484 . . . . 0.0 111.284 177.943 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 88.4 tt0 -55.43 124.25 16.56 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.2 -176.5 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 94.92 -10.53 70.21 Favored Glycine 0 CA--C 1.524 0.596 0 N-CA-C 111.213 -0.755 . . . . 0.0 111.213 172.616 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 95.9 mmm -90.55 153.12 45.83 Favored Pre-proline 0 C--N 1.327 -0.397 0 CA-C-O 120.895 0.378 . . . . 0.0 111.263 -176.148 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 72.1 Cg_endo -74.74 152.55 42.3 Favored 'Trans proline' 0 C--N 1.329 -0.497 0 C-N-CA 121.676 1.584 . . . . 0.0 111.208 178.489 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 8.8 p -152.63 134.23 5.38 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.173 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.129 176.6 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 82.0 m -119.86 135.32 54.92 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.012 -178.687 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 26.9 p90 -149.99 154.74 38.72 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.128 174.794 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 12.6 t -147.32 162.19 39.47 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.088 -0.506 . . . . 0.0 111.171 -168.384 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 34.1 t -147.44 147.78 30.58 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.303 -0.408 . . . . 0.0 111.186 -177.949 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 43.4 ttm180 -126.22 139.95 52.93 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.293 -0.412 . . . . 0.0 111.16 -175.809 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 10.6 p -124.81 133.62 68.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.195 -175.868 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -92.79 65.12 4.16 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.092 -0.504 . . . . 0.0 111.241 177.573 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -108.09 158.93 14.6 Favored Glycine 0 CA--C 1.521 0.435 0 N-CA-C 111.242 -0.743 . . . . 0.0 111.242 -176.649 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 34' ' ' ASN . . . . . 0.442 ' HA ' ' C ' ' A' ' 35' ' ' PRO . 54.1 t-20 -154.88 108.89 2.32 Favored Pre-proline 0 CA--C 1.51 -0.558 0 CA-C-O 121.155 0.503 . . . . 0.0 110.986 177.18 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 35' ' ' PRO . . . . . 0.442 ' C ' ' HA ' ' A' ' 34' ' ' ASN . 24.3 Cg_exo -74.54 165.9 84.3 Favored 'Cis proline' 0 N--CA 1.456 -0.701 0 C-N-CA 121.512 -2.287 . . . . 0.0 111.299 8.909 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 36' ' ' LYS . . . . . 0.418 ' HA ' ' HD3' ' A' ' 37' ' ' PRO . 4.6 mptp? -59.6 115.76 13.91 Favored Pre-proline 0 C--N 1.332 -0.181 0 CA-C-N 115.988 -0.551 . . . . 0.0 111.035 -178.724 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 37' ' ' PRO . . . . . 0.418 ' HD3' ' HA ' ' A' ' 36' ' ' LYS . 50.5 Cg_exo -59.92 152.94 60.77 Favored 'Trans proline' 0 N--CA 1.459 -0.512 0 C-N-CA 121.594 1.53 . . . . 0.0 111.182 -176.111 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 99.7 mttt -82.59 70.11 9.5 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.502 177.29 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 77.8 mt -41.96 125.12 0.57 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.222 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.049 -175.633 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 77.6 m-85 -112.04 144.82 40.76 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.234 173.653 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 41' ' ' TRP . . . . . . . . . . . . . 93.6 m95 -109.48 138.81 45.28 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.179 172.203 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 34.7 p90 -152.45 145.86 24.83 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.073 -0.512 . . . . 0.0 111.319 170.992 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 12.1 tmtt? -109.92 109.95 20.73 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.284 -0.416 . . . . 0.0 111.295 -174.522 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 87.9 m-20 53.35 33.19 15.18 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.132 -175.557 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 96.71 0.33 60.69 Favored Glycine 0 CA--C 1.524 0.649 0 N-CA-C 111.082 -0.807 . . . . 0.0 111.082 176.525 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 97.4 mttt -94.93 101.57 13.35 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.872 0.368 . . . . 0.0 111.258 -178.695 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 66.3 tt0 -51.7 129.95 27.35 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.288 -0.414 . . . . 0.0 111.285 -177.265 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 96.1 mt -101.99 125.06 56.21 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.197 -179.557 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 49' ' ' SER . . . . . 0.403 ' HA ' ' HD3' ' A' ' 50' ' ' PRO . 30.3 t -88.75 135.0 32.69 Favored Pre-proline 0 C--N 1.327 -0.41 0 CA-C-N 116.295 -0.412 . . . . 0.0 111.176 175.516 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 50' ' ' PRO . . . . . 0.403 ' HD3' ' HA ' ' A' ' 49' ' ' SER . 53.1 Cg_exo -55.04 138.22 78.11 Favored 'Trans proline' 0 N--CA 1.46 -0.471 0 C-N-CA 121.565 1.51 . . . . 0.0 111.2 178.348 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 97.8 mttt 58.84 57.04 3.8 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.079 -0.509 . . . . 0.0 111.226 177.722 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 13.7 t -94.94 -161.53 0.87 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.228 178.48 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 99.6 m-20 -55.21 -45.34 75.9 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.304 -178.038 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 54' ' ' HIS . . . . . . . . . . . . . 99.4 m-70 -136.22 -5.13 2.1 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.433 179.291 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 55' ' ' TYR . . . . . . . . . . . . . 22.3 m-30 -106.26 94.95 5.43 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.103 -0.499 . . . . 0.0 111.108 -172.935 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 96.8 m -98.95 124.14 43.71 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.166 -179.734 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 96.6 mt -111.14 125.08 68.45 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.236 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.149 -177.765 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 99.2 mm-40 -103.92 136.6 43.27 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.267 172.374 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 62.2 mtp180 -121.18 97.7 5.64 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.322 -0.399 . . . . 0.0 111.232 -172.505 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 67.5 t0 -84.82 120.22 26.2 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.199 173.457 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 96.0 mt -71.54 -7.06 45.24 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.084 -0.507 . . . . 0.0 111.117 -170.187 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 96.4 m-20 -70.08 -16.54 63.14 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.372 -0.376 . . . . 0.0 111.066 176.414 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 120.66 23.37 2.83 Favored Glycine 0 CA--C 1.524 0.631 0 N-CA-C 111.041 -0.824 . . . . 0.0 111.041 179.044 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 47.2 m -126.3 139.93 52.92 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.83 0.348 . . . . 0.0 111.226 -179.424 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 65' ' ' CYS . . . . . . . . . . . . . 11.9 t -140.2 140.06 35.78 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.153 178.026 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 40.0 t -125.48 137.13 53.96 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.164 -174.104 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 66.9 tp -114.32 119.97 38.78 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.178 177.142 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 63.1 t60 -109.79 128.85 55.58 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.335 177.608 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 91.9 m -103.63 118.55 36.98 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.147 173.117 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 83.1 m -66.19 -43.3 87.22 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.236 -175.937 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -142.91 85.83 1.9 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.13 -176.762 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 46.8 t -78.37 106.43 10.29 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.039 -0.528 . . . . 0.0 111.17 -177.159 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 54.4 p -104.96 179.32 4.3 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.193 -179.767 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 97.0 mt -61.86 -26.18 67.99 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.048 -0.524 . . . . 0.0 111.257 -178.672 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 98.8 m-20 -76.85 -19.16 57.82 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.058 -0.519 . . . . 0.0 111.157 175.178 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 67.8 m-20 -93.14 -16.07 25.31 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.11 178.085 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 56.8 t0 -54.96 127.98 31.33 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.195 174.289 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 161.19 -163.94 34.63 Favored Glycine 0 CA--C 1.523 0.591 0 N-CA-C 111.247 -0.741 . . . . 0.0 111.247 -179.813 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 74.5 m-80 -104.94 108.12 19.46 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.89 0.376 . . . . 0.0 111.166 -174.183 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 80' ' ' TYR . . . . . . . . . . . . . 51.2 m-85 -84.32 69.92 10.54 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.088 -0.505 . . . . 0.0 111.264 178.072 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 88.3 m -64.08 133.93 53.96 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.164 -172.53 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 7.8 tt -107.74 140.04 27.53 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.319 -0.401 . . . . 0.0 111.19 177.789 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 83' ' ' MET . . . . . . . . . . . . . 67.1 ttp -131.38 117.06 18.36 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.373 -0.376 . . . . 0.0 111.224 179.872 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -92.39 85.32 5.34 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.343 -0.39 . . . . 0.0 111.106 177.12 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -95.13 131.64 40.93 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.321 -174.017 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 86' ' ' ASN . . . . . 0.467 ' CB ' ' CD ' ' A' ' 87' ' ' PRO . 26.2 p30 -146.6 178.23 1.51 Allowed Pre-proline 0 C--N 1.328 -0.365 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.142 171.93 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 87' ' ' PRO . . . . . 0.467 ' CD ' ' CB ' ' A' ' 86' ' ' ASN . 73.9 Cg_exo -59.01 -25.03 76.22 Favored 'Trans proline' 0 N--CA 1.459 -0.533 0 C-N-CA 121.743 1.629 . . . . 0.0 111.195 -175.073 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 93.6 mm-40 -93.5 -5.05 50.0 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.081 -0.509 . . . . 0.0 111.279 -169.977 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 145.35 -166.86 27.57 Favored Glycine 0 CA--C 1.522 0.505 0 N-CA-C 111.264 -0.735 . . . . 0.0 111.264 -178.22 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 41.2 ptt180 -151.36 159.94 44.02 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-O 120.63 0.252 . . . . 0.0 111.148 179.035 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 11.5 p -147.14 137.04 16.91 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.394 0 CA-C-N 116.305 -0.407 . . . . 0.0 111.279 174.819 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 70.0 m -118.79 151.51 37.91 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.264 -0.425 . . . . 0.0 111.303 -174.152 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 93' ' ' CYS . . . . . . . . . . . . . 53.8 t -150.2 135.53 18.04 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.313 -0.403 . . . . 0.0 111.305 176.087 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 86.3 m -71.17 129.83 39.91 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.306 -175.35 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -102.13 55.62 0.7 Allowed Glycine 0 CA--C 1.524 0.604 0 N-CA-C 111.198 -0.761 . . . . 0.0 111.198 177.792 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 79.6 ttt180 -51.66 114.21 1.2 Allowed 'General case' 0 C--N 1.326 -0.433 0 CA-C-O 120.706 0.288 . . . . 0.0 111.246 -177.511 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 65.2 tp -123.5 110.46 15.1 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.32 -0.4 . . . . 0.0 111.214 171.861 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 98' ' ' MET . . . . . . . . . . . . . 98.8 mmm -97.26 140.86 31.11 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.238 179.991 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 98.9 t -115.26 126.49 72.84 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.294 -0.412 . . . . 0.0 111.312 -176.916 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 63.3 tt0 . . . . . 0 C--N 1.329 -0.287 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.097 179.1 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.457 -0.107 0 CA-C-O 120.709 0.29 . . . . 0.0 111.167 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 33.2 Cg_endo -64.94 136.46 48.72 Favored 'Trans proline' 0 N--CA 1.458 -0.594 0 C-N-CA 121.679 1.586 . . . . 0.0 111.205 -178.185 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 92.1 t80 -150.53 122.11 7.99 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.266 -0.425 . . . . 0.0 111.146 179.48 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 89.7 m-85 -70.88 83.66 0.66 Allowed 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.13 -0.487 . . . . 0.0 111.157 179.349 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 21.6 pt-20 -69.48 -15.92 63.36 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.046 -0.525 . . . . 0.0 111.218 177.25 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 65.6 ttp -138.62 107.2 5.87 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.078 -0.51 . . . . 0.0 111.214 167.336 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 99.2 mttt -92.06 165.59 13.1 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.275 -0.421 . . . . 0.0 111.372 -173.155 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 96.0 mt -81.0 149.6 29.23 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.136 174.139 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 96.5 mttt -107.31 168.59 9.12 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.074 -0.512 . . . . 0.0 111.156 179.994 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 22.9 t-160 -70.77 110.97 5.87 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.127 171.57 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 71.0 m-85 -99.99 143.19 30.49 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.374 -0.376 . . . . 0.0 111.185 -173.454 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 98.7 mttt -122.34 102.09 7.9 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.202 -179.565 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 19' ' ' ILE . . . . . 0.434 ' O ' ' HA ' ' A' ' 99' ' ' VAL . 42.7 mm -121.97 141.39 42.59 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.367 0 CA-C-N 116.099 -0.5 . . . . 0.0 111.218 -172.106 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 43.6 m-85 -73.61 147.05 44.17 Favored 'General case' 0 CA--C 1.519 -0.219 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.289 179.829 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 79.9 tt0 -55.03 120.14 6.48 Favored 'General case' 0 C--N 1.332 -0.155 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.271 -178.94 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 96.54 -12.31 66.34 Favored Glycine 0 CA--C 1.524 0.619 0 N-CA-C 111.127 -0.789 . . . . 0.0 111.127 175.44 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 24.4 ttt -80.05 134.59 55.97 Favored Pre-proline 0 C--N 1.328 -0.359 0 CA-C-O 120.812 0.339 . . . . 0.0 111.341 -178.464 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 60.4 Cg_endo -69.27 148.65 68.71 Favored 'Trans proline' 0 C--N 1.328 -0.51 0 C-N-CA 121.523 1.482 . . . . 0.0 111.213 176.394 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 7.1 p -146.67 134.59 15.22 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.221 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.093 179.325 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 85.7 m -115.77 130.12 56.72 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.214 174.86 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 30.9 p90 -141.19 154.89 46.06 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.081 -0.509 . . . . 0.0 111.107 176.676 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 10.7 t -148.27 155.81 41.78 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.242 -168.253 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 47.4 t -145.0 141.66 29.13 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.311 -0.404 . . . . 0.0 111.144 -176.113 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 58.0 ttt85 -120.01 132.19 55.39 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.08 -172.777 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 98.5 t -120.58 126.28 75.07 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.377 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.302 -175.876 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -87.38 65.12 8.56 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.059 -0.519 . . . . 0.0 111.289 177.606 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -107.11 158.99 14.84 Favored Glycine 0 CA--C 1.523 0.582 0 N-CA-C 111.151 -0.78 . . . . 0.0 111.151 -177.367 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 34' ' ' ASN . . . . . 0.442 ' HA ' ' HA ' ' A' ' 35' ' ' PRO . 54.2 t-20 -154.94 108.19 2.31 Favored Pre-proline 0 CA--C 1.511 -0.554 0 CA-C-O 121.149 0.5 . . . . 0.0 110.977 177.069 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 35' ' ' PRO . . . . . 0.442 ' HA ' ' HA ' ' A' ' 34' ' ' ASN . 24.0 Cg_exo -74.31 166.4 82.76 Favored 'Cis proline' 0 N--CA 1.455 -0.768 0 C-N-CA 121.749 -2.188 . . . . 0.0 111.323 8.443 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 5.0 mptp? -59.14 116.68 16.8 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.068 179.536 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 77.3 Cg_exo -55.85 147.07 64.0 Favored 'Trans proline' 0 C--N 1.328 -0.526 0 C-N-CA 121.618 1.545 . . . . 0.0 111.218 -176.632 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 98.7 mttt -73.8 69.66 1.37 Allowed 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.383 175.279 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 39' ' ' ILE . . . . . 0.404 HG13 ' SG ' ' A' ' 65' ' ' CYS . 44.0 mm -43.05 120.75 0.4 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.183 -170.517 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 82.4 m-85 -107.16 140.48 39.95 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.113 176.102 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 41' ' ' TRP . . . . . . . . . . . . . 91.7 m95 -113.86 135.17 54.26 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.061 -0.518 . . . . 0.0 111.219 174.999 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 33.7 p90 -153.24 146.21 24.52 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.088 -0.505 . . . . 0.0 111.242 173.147 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 12.6 tmtt? -110.01 110.0 20.77 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.182 -174.133 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 90.0 m-20 54.72 32.8 18.13 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.246 -0.433 . . . . 0.0 111.091 -176.257 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 95.85 -0.05 62.49 Favored Glycine 0 CA--C 1.525 0.706 0 N-CA-C 111.118 -0.793 . . . . 0.0 111.118 176.936 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 97.0 mttt -95.1 100.92 12.66 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.874 0.368 . . . . 0.0 111.19 -178.797 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 66.4 tt0 -50.92 128.72 21.95 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.25 -178.067 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 95.6 mt -98.45 125.06 51.88 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.381 0 CA-C-N 116.294 -0.412 . . . . 0.0 111.157 -178.452 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 31.1 t -84.15 131.07 52.08 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-N 116.266 -0.425 . . . . 0.0 111.131 174.161 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_exo -54.87 136.17 71.08 Favored 'Trans proline' 0 N--CA 1.457 -0.651 0 C-N-CA 121.849 1.699 . . . . 0.0 111.121 178.594 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 97.9 mttt 59.02 57.66 3.45 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-O 120.944 0.402 . . . . 0.0 111.183 178.372 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 14.9 t -94.96 -161.49 0.86 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.294 178.812 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 99.5 m-20 -55.03 -45.49 75.18 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.241 -177.941 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 54' ' ' HIS . . . . . . . . . . . . . 99.5 m-70 -136.73 -5.09 1.97 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.444 179.979 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 55' ' ' TYR . . . . . . . . . . . . . 22.0 m-30 -107.34 95.84 5.99 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.144 -173.007 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 97.1 m -99.12 118.61 36.25 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.164 -178.846 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 97.9 mt -102.88 130.54 52.8 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.313 -0.403 . . . . 0.0 111.185 179.179 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 70.4 tp60 -130.05 109.93 11.23 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.242 174.034 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 83.5 mtm180 -104.47 114.68 29.07 Favored 'General case' 0 C--O 1.235 0.301 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.16 -177.284 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 65.0 t0 -87.13 130.57 34.47 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 116.287 -0.415 . . . . 0.0 111.25 174.372 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 95.1 mt -65.82 -14.4 61.33 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.091 -0.504 . . . . 0.0 111.041 -176.324 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 30.3 t70 -61.17 -32.53 72.26 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.326 -0.397 . . . . 0.0 111.075 176.532 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 132.39 0.32 4.56 Favored Glycine 0 CA--C 1.525 0.696 0 N-CA-C 110.977 -0.849 . . . . 0.0 110.977 177.098 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 97.4 m -107.82 122.82 47.56 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.633 0.254 . . . . 0.0 111.318 177.73 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 65' ' ' CYS . . . . . 0.404 ' SG ' HG13 ' A' ' 39' ' ' ILE . 84.9 m -123.33 140.85 52.59 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.254 178.285 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 95.0 p -124.85 149.28 47.64 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.186 -173.063 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 57.6 tp -127.6 123.98 36.99 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.069 -0.514 . . . . 0.0 111.13 173.401 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 68.6 t60 -108.38 129.92 55.23 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.223 -179.662 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 99.2 m -104.64 114.71 29.1 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.053 -0.521 . . . . 0.0 111.154 172.102 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 82.6 m -67.41 -39.95 85.54 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.202 -175.725 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -137.46 87.32 2.26 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.298 -0.41 . . . . 0.0 111.104 -177.198 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 37.4 t -81.21 93.46 6.49 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.185 -178.14 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 43.8 p -101.08 178.1 4.76 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.127 -179.64 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 97.0 mt -62.29 -25.27 67.77 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.262 -177.763 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 98.6 m-20 -78.49 -19.31 53.3 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.203 175.349 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 68.1 m-20 -94.57 -12.77 26.86 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.206 178.511 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 57.9 t0 -55.42 128.94 36.67 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.227 172.852 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 160.55 -162.9 33.73 Favored Glycine 0 CA--C 1.524 0.598 0 N-CA-C 111.148 -0.781 . . . . 0.0 111.148 179.678 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 74.4 m-20 -107.21 106.32 16.73 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 121.03 0.443 . . . . 0.0 111.105 -173.911 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 80' ' ' TYR . . . . . . . . . . . . . 42.5 m-85 -81.71 70.8 8.68 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.001 -0.545 . . . . 0.0 111.279 177.531 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 87.7 m -65.13 134.72 54.37 Favored 'General case' 0 C--O 1.233 0.237 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.114 -170.654 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 1.4 tt -110.0 138.26 38.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.141 176.172 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 83' ' ' MET . . . . . . . . . . . . . 65.6 ttp -122.0 120.69 35.12 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.293 -176.899 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -91.66 82.52 5.27 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.078 177.153 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -95.06 118.24 31.53 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.291 -0.413 . . . . 0.0 111.197 -177.309 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 86' ' ' ASN . . . . . 0.502 ' CB ' ' CD ' ' A' ' 87' ' ' PRO . 24.8 p-10 -141.27 -179.98 1.1 Allowed Pre-proline 0 C--N 1.327 -0.376 0 CA-C-N 116.009 -0.541 . . . . 0.0 111.01 174.584 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 87' ' ' PRO . . . . . 0.502 ' CD ' ' CB ' ' A' ' 86' ' ' ASN . 75.8 Cg_exo -59.01 -24.9 75.6 Favored 'Trans proline' 0 N--CA 1.457 -0.666 0 C-N-CA 121.615 1.543 . . . . 0.0 111.307 -174.827 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 97.6 mm-40 -92.25 1.88 56.95 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.188 -172.846 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 130.61 -174.97 19.56 Favored Glycine 0 CA--C 1.522 0.519 0 N-CA-C 111.328 -0.709 . . . . 0.0 111.328 178.595 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 40.5 ptt180 -140.88 150.06 42.73 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.715 0.293 . . . . 0.0 111.237 -177.715 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 7.2 p -154.31 139.95 11.01 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.379 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.143 178.908 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 96.6 p -109.26 156.16 20.26 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.29 -0.414 . . . . 0.0 111.272 -172.399 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 93' ' ' CYS . . . . . . . . . . . . . 43.0 t -141.87 139.86 32.74 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.311 172.859 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 88.2 m -80.6 114.41 19.47 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.413 -170.4 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -85.03 65.85 3.97 Favored Glycine 0 CA--C 1.523 0.554 0 N-CA-C 111.301 -0.719 . . . . 0.0 111.301 174.712 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 80.7 ttt180 -64.89 107.94 1.62 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.603 0.239 . . . . 0.0 111.282 -174.004 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 56.5 tp -116.41 109.88 17.92 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.407 -0.36 . . . . 0.0 111.282 174.751 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 98' ' ' MET . . . . . . . . . . . . . 65.4 ttp -101.94 134.11 45.67 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.11 -179.324 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 99' ' ' VAL . . . . . 0.434 ' HA ' ' O ' ' A' ' 19' ' ' ILE . 95.0 t -110.58 129.87 64.93 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.219 0 CA-C-N 116.053 -0.521 . . . . 0.0 111.265 -174.353 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 65.0 tt0 . . . . . 0 C--N 1.33 -0.268 0 CA-C-N 116.085 -0.507 . . . . 0.0 111.265 178.141 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.13 0 CA-C-O 120.8 0.333 . . . . 0.0 111.185 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 33.9 Cg_endo -65.19 136.19 46.6 Favored 'Trans proline' 0 N--CA 1.459 -0.524 0 C-N-CA 121.703 1.602 . . . . 0.0 111.134 -178.167 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 90.3 t80 -151.15 122.59 7.88 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.311 -0.404 . . . . 0.0 111.23 179.996 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 84.6 m-85 -70.49 84.16 0.59 Allowed 'General case' 0 C--N 1.332 -0.185 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.184 179.955 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 21.1 pt-20 -68.63 -15.17 63.44 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.188 176.816 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 66.0 ttp -137.15 102.62 4.88 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.214 166.986 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 98.9 mttt -87.57 168.77 12.76 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.176 -173.196 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 94.9 mt -82.72 150.27 26.81 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.194 176.713 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 97.0 mttt -104.83 166.21 10.54 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.353 -0.385 . . . . 0.0 111.209 176.185 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 19.3 t-160 -66.79 110.23 3.19 Favored 'General case' 0 C--O 1.234 0.268 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.061 172.132 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 60.7 m-85 -100.57 145.8 27.9 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 116.44 -0.345 . . . . 0.0 111.284 -173.98 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 98.9 mttt -135.69 139.3 43.57 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.168 176.687 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 19' ' ' ILE . . . . . 0.4 HG13 ' N ' ' A' ' 20' ' ' PHE . 9.5 tp -148.3 152.33 12.56 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-N 116.099 -0.5 . . . . 0.0 111.121 -177.623 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 20' ' ' PHE . . . . . 0.4 ' N ' HG13 ' A' ' 19' ' ' ILE . 47.2 m-85 -79.66 145.95 32.73 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.214 172.783 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 87.4 tt0 -55.01 125.07 18.87 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.272 -176.399 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 104.17 -17.79 47.16 Favored Glycine 0 CA--C 1.524 0.618 0 N-CA-C 111.221 -0.752 . . . . 0.0 111.221 172.673 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 97.7 mmm -83.33 152.72 64.96 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 120.686 0.279 . . . . 0.0 111.414 -175.385 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 72.1 Cg_endo -74.91 152.41 41.2 Favored 'Trans proline' 0 C--N 1.327 -0.586 0 C-N-CA 121.796 1.664 . . . . 0.0 111.218 178.61 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 42.1 t -136.05 125.51 39.68 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.116 179.354 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 89.7 m -117.92 126.99 53.41 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.151 178.604 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 29.8 p90 -151.91 155.71 38.64 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.21 175.921 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 10.4 t -149.62 158.18 43.93 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.082 -171.679 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 15.4 t -140.9 144.16 35.07 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.122 -177.119 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 58.2 ttt85 -122.31 133.75 54.67 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.358 -0.383 . . . . 0.0 111.169 -175.121 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 61.0 t -121.89 125.75 73.63 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.309 -173.969 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -88.02 65.4 8.21 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.121 -0.491 . . . . 0.0 111.312 177.296 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -107.45 160.48 14.05 Favored Glycine 0 CA--C 1.521 0.446 0 N-CA-C 111.325 -0.71 . . . . 0.0 111.325 -177.597 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 34' ' ' ASN . . . . . 0.439 ' HA ' ' HA ' ' A' ' 35' ' ' PRO . 54.1 t-20 -154.87 107.43 2.32 Favored Pre-proline 0 CA--C 1.51 -0.56 0 CA-C-O 121.254 0.55 . . . . 0.0 110.982 177.069 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 35' ' ' PRO . . . . . 0.439 ' HA ' ' HA ' ' A' ' 34' ' ' ASN . 24.9 Cg_exo -74.38 166.57 82.37 Favored 'Cis proline' 0 N--CA 1.456 -0.678 0 C-N-CA 121.525 -2.281 . . . . 0.0 111.279 9.064 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 4.8 mptp? -59.39 116.32 15.83 Favored Pre-proline 0 C--N 1.331 -0.224 0 CA-C-N 116.005 -0.543 . . . . 0.0 111.055 179.384 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 64.1 Cg_exo -57.12 151.21 52.15 Favored 'Trans proline' 0 N--CA 1.459 -0.555 0 C-N-CA 121.785 1.657 . . . . 0.0 111.095 -176.342 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 99.6 mttt -79.43 67.02 5.05 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.093 -0.503 . . . . 0.0 111.415 175.351 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 84.9 mt -42.02 122.45 0.42 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.246 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.128 -171.617 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 80.7 m-85 -109.63 145.34 36.62 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.076 -0.511 . . . . 0.0 111.253 175.944 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 41' ' ' TRP . . . . . . . . . . . . . 94.5 m95 -114.66 139.79 49.36 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.213 173.934 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 35.8 p90 -153.36 145.58 23.86 Favored 'General case' 0 C--N 1.333 -0.128 0 CA-C-N 116.099 -0.5 . . . . 0.0 111.171 170.801 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 12.4 tmtt? -109.93 109.98 20.77 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.064 -0.516 . . . . 0.0 111.101 -174.301 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 93.5 m-20 54.05 33.25 17.22 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.178 -176.08 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 95.58 1.14 62.24 Favored Glycine 0 CA--C 1.527 0.794 0 N-CA-C 111.171 -0.772 . . . . 0.0 111.171 176.662 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 97.0 mttt -94.92 100.72 12.53 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.955 0.407 . . . . 0.0 111.204 -179.277 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 66.3 tt0 -51.64 129.68 26.5 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.241 -177.527 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 96.5 mt -102.09 124.62 56.08 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.229 0 CA-C-N 116.097 -0.501 . . . . 0.0 111.256 -179.141 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 49' ' ' SER . . . . . 0.414 ' HA ' ' HD3' ' A' ' 50' ' ' PRO . 30.0 t -90.43 137.24 27.56 Favored Pre-proline 0 C--N 1.327 -0.4 0 CA-C-N 116.49 -0.323 . . . . 0.0 111.246 174.465 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 50' ' ' PRO . . . . . 0.414 ' HD3' ' HA ' ' A' ' 49' ' ' SER . 53.3 Cg_exo -54.59 138.5 75.22 Favored 'Trans proline' 0 N--CA 1.456 -0.724 0 C-N-CA 121.802 1.668 . . . . 0.0 111.24 178.152 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 98.1 mttt 57.91 56.91 4.42 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.319 -0.4 . . . . 0.0 111.346 177.503 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 14.7 t -94.97 -162.39 0.94 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.084 -0.507 . . . . 0.0 111.257 178.879 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 99.5 m-20 -55.34 -45.73 76.4 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.222 -177.784 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 54' ' ' HIS . . . . . . . . . . . . . 99.3 m-70 -136.3 -5.03 2.08 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.072 -0.513 . . . . 0.0 111.286 179.571 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 55' ' ' TYR . . . . . . . . . . . . . 22.2 m-30 -108.05 96.24 6.23 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.157 -173.283 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 97.4 m -99.84 125.54 45.81 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.177 -179.299 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 95.9 mt -110.39 122.32 64.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.317 -179.026 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 99.4 mm-40 -102.39 132.42 48.41 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.186 172.77 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 99.8 mtt180 -115.26 108.11 16.15 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.296 -174.463 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 66.8 t0 -94.29 120.75 34.98 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.15 172.141 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 95.3 mt -67.36 -12.17 59.51 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.175 -172.373 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 22.3 t70 -65.32 -22.44 66.83 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.43 -0.35 . . . . 0.0 111.016 177.689 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 123.85 17.27 3.14 Favored Glycine 0 CA--C 1.524 0.653 0 N-CA-C 111.048 -0.821 . . . . 0.0 111.048 178.484 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 88.2 m -118.11 139.54 51.1 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-O 120.736 0.303 . . . . 0.0 111.311 177.171 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 65' ' ' CYS . . . . . . . . . . . . . 13.6 t -137.18 138.06 39.83 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.974 176.685 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 37.4 t -121.38 136.96 54.9 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.112 -0.494 . . . . 0.0 111.169 -174.364 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 62.3 tp -116.95 120.15 37.54 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.237 177.838 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 81.6 t60 -111.88 126.23 54.88 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.295 -0.412 . . . . 0.0 111.187 -178.644 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 98.4 m -98.13 117.49 32.62 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.013 172.008 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 82.4 m -63.37 -44.82 93.7 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.33 -176.127 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -143.61 87.83 1.96 Allowed 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.081 -0.509 . . . . 0.0 111.123 -176.856 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 48.4 t -75.68 107.5 7.88 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.191 -176.472 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 56.3 p -106.09 179.83 4.15 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.293 179.18 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 97.5 mt -61.6 -26.4 67.96 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.289 -178.264 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 99.7 m-20 -77.7 -20.24 53.91 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.175 175.432 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 69.9 m-20 -91.62 -11.12 38.02 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.022 -0.535 . . . . 0.0 111.161 177.988 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 57.4 t0 -59.7 126.44 27.61 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.246 172.966 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 161.13 -164.24 34.76 Favored Glycine 0 CA--C 1.525 0.657 0 N-CA-C 111.194 -0.762 . . . . 0.0 111.194 -179.041 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 74.2 m-20 -105.35 109.06 20.89 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.746 0.308 . . . . 0.0 111.162 -174.206 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 80' ' ' TYR . . . . . . . . . . . . . 61.9 m-85 -82.96 70.06 9.89 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.387 177.644 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 86.3 m -65.1 134.64 54.22 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.12 -171.989 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 1.7 tt -110.06 140.0 30.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.217 176.911 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 83' ' ' MET . . . . . . . . . . . . . 66.4 ttp -124.55 120.32 31.63 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.238 -178.601 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -92.32 84.46 5.18 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.077 177.514 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -95.08 119.51 33.71 Favored 'General case' 0 C--O 1.233 0.205 0 CA-C-N 116.092 -0.504 . . . . 0.0 111.275 -176.194 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 86' ' ' ASN . . . . . 0.498 ' CB ' ' CD ' ' A' ' 87' ' ' PRO . 24.8 p-10 -141.03 179.99 1.12 Allowed Pre-proline 0 C--N 1.329 -0.313 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.191 174.43 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 87' ' ' PRO . . . . . 0.498 ' CD ' ' CB ' ' A' ' 86' ' ' ASN . 77.7 Cg_exo -59.01 -25.04 76.26 Favored 'Trans proline' 0 N--CA 1.456 -0.709 0 C-N-CA 121.7 1.6 . . . . 0.0 111.272 -175.104 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 96.8 mm-40 -93.26 4.09 54.56 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.075 -0.511 . . . . 0.0 111.25 -172.52 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 128.97 -173.27 19.43 Favored Glycine 0 CA--C 1.522 0.528 0 N-CA-C 111.237 -0.745 . . . . 0.0 111.237 178.477 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 41.0 ptt180 -142.4 152.65 43.04 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-O 120.596 0.236 . . . . 0.0 111.283 -178.178 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 7.2 p -153.4 139.07 11.52 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.181 179.16 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 98.5 p -108.22 159.8 16.33 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.257 -173.096 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 93' ' ' CYS . . . . . . . . . . . . . 50.3 t -148.99 135.55 19.52 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.305 173.3 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 88.3 m -72.76 129.97 39.41 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.325 -0.398 . . . . 0.0 111.286 -172.291 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -103.59 55.3 0.64 Allowed Glycine 0 CA--C 1.524 0.65 0 N-CA-C 111.086 -0.806 . . . . 0.0 111.086 176.934 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 79.8 ttt180 -54.05 115.8 2.23 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 120.648 0.261 . . . . 0.0 111.305 -175.539 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 55.1 tp -125.43 112.22 16.02 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.333 -0.394 . . . . 0.0 111.118 171.082 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 98' ' ' MET . . . . . . . . . . . . . 98.8 mmm -97.34 141.65 30.18 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.248 179.718 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 64.8 t -117.91 124.95 73.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.182 -177.484 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 64.0 tt0 . . . . . 0 C--N 1.33 -0.277 0 CA-C-O 121.093 0.473 . . . . 0.0 111.172 177.462 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.456 -0.162 0 CA-C-O 120.799 0.333 . . . . 0.0 111.137 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_exo -54.97 132.73 53.96 Favored 'Trans proline' 0 N--CA 1.458 -0.595 0 C-N-CA 121.65 1.567 . . . . 0.0 111.363 178.833 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 90.2 t80 -154.16 121.44 5.73 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 120.954 0.407 . . . . 0.0 111.253 177.19 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 76.1 m-85 -69.74 87.36 0.51 Allowed 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.156 -179.976 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 16.8 pt-20 -64.82 -20.14 66.23 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.059 -0.519 . . . . 0.0 111.302 175.185 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 67.5 ttp -137.93 113.02 9.18 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 115.903 -0.59 . . . . 0.0 111.01 170.227 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 99.0 mttt -98.29 166.22 11.49 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.267 -170.196 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 94.2 mt -82.64 170.35 15.23 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.319 -0.401 . . . . 0.0 111.208 176.605 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 63.9 pttt -134.84 179.91 6.01 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.311 177.258 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 19.9 t-160 -71.96 111.34 7.13 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.09 176.206 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 77.4 m-85 -100.33 146.25 27.18 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.279 -177.184 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 99.1 mttt -133.9 138.8 45.77 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.209 178.035 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 19' ' ' ILE . . . . . 0.414 ' O ' ' HA ' ' A' ' 99' ' ' VAL . 9.9 tp -150.6 151.9 12.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.094 -178.953 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 54.2 m-85 -82.03 141.59 33.08 Favored 'General case' 0 CA--C 1.521 -0.154 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.328 172.135 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . 0.423 ' O ' ' HG3' ' A' ' 21' ' ' GLU . 14.5 pt-20 -53.48 125.03 16.54 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.38 -176.755 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 106.71 -16.99 39.75 Favored Glycine 0 CA--C 1.526 0.738 0 N-CA-C 111.118 -0.793 . . . . 0.0 111.118 173.711 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 98.0 mmm -86.47 153.62 56.1 Favored Pre-proline 0 C--N 1.327 -0.385 0 CA-C-O 120.823 0.344 . . . . 0.0 111.234 -176.741 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 73.1 Cg_endo -74.82 152.4 41.7 Favored 'Trans proline' 0 N--CA 1.457 -0.658 0 C-N-CA 121.71 1.606 . . . . 0.0 111.18 179.038 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 59.5 t -134.93 128.88 50.54 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.165 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.066 178.999 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 88.4 m -127.79 128.24 44.96 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.138 179.676 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 35.4 p90 -155.74 165.39 36.65 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.12 172.178 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 10.5 t -148.97 160.71 43.05 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.334 -170.318 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 35.5 t -147.37 141.97 26.59 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.433 -0.349 . . . . 0.0 111.163 -177.35 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 43.2 ttm180 -121.47 138.37 54.32 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.354 -0.385 . . . . 0.0 111.11 -171.202 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 87.4 t -124.96 125.1 69.05 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.082 -0.508 . . . . 0.0 111.331 -174.261 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -86.7 64.65 8.62 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.269 177.872 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -107.52 155.2 16.39 Favored Glycine 0 CA--C 1.521 0.466 0 N-CA-C 111.265 -0.734 . . . . 0.0 111.265 179.049 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 34' ' ' ASN . . . . . 0.453 ' HA ' ' HA ' ' A' ' 35' ' ' PRO . 54.1 t-20 -156.12 109.49 2.09 Favored Pre-proline 0 CA--C 1.511 -0.551 0 CA-C-O 121.183 0.516 . . . . 0.0 110.956 179.551 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 35' ' ' PRO . . . . . 0.453 ' HA ' ' HA ' ' A' ' 34' ' ' ASN . 58.1 Cg_endo -74.67 169.31 74.63 Favored 'Cis proline' 0 N--CA 1.457 -0.642 0 C-N-CA 121.58 -2.258 . . . . 0.0 111.205 5.127 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 63.3 tttm -52.28 122.87 26.22 Favored Pre-proline 0 C--N 1.33 -0.257 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.067 178.906 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 31.7 Cg_exo -61.16 162.31 20.14 Favored 'Trans proline' 0 N--CA 1.457 -0.652 0 C-N-CA 121.627 1.552 . . . . 0.0 111.262 177.951 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 99.4 mttt -78.03 69.57 4.27 Favored 'General case' 0 N--CA 1.454 -0.247 0 CA-C-O 120.916 0.388 . . . . 0.0 111.486 174.905 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 76.8 mt -70.41 135.2 28.64 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.196 0 CA-C-N 116.044 -0.526 . . . . 0.0 111.085 -171.483 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 40.3 p90 -146.82 165.72 28.84 Favored 'General case' 0 N--CA 1.456 -0.159 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.207 177.946 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 41' ' ' TRP . . . . . . . . . . . . . 70.7 m95 -113.76 150.03 34.01 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-O 121.086 0.469 . . . . 0.0 111.169 -179.226 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 39.0 p90 -152.05 145.81 25.06 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.017 -0.538 . . . . 0.0 111.313 170.064 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 12.7 tmtt? -110.16 109.87 20.53 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.233 -174.813 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 92.0 m-20 53.27 33.6 15.87 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.094 -176.615 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 97.11 -0.75 60.5 Favored Glycine 0 CA--C 1.524 0.636 0 N-CA-C 111.137 -0.785 . . . . 0.0 111.137 176.331 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 97.0 mttt -96.33 100.13 11.77 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.81 0.338 . . . . 0.0 111.06 -178.718 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 66.0 tt0 -52.34 129.87 29.52 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.318 -0.401 . . . . 0.0 111.172 -177.399 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 91.7 mt -99.32 125.27 52.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.185 -177.582 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 30.0 t -86.43 132.79 41.84 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-N 116.357 -0.383 . . . . 0.0 111.289 173.872 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 57.7 Cg_exo -55.03 140.39 80.09 Favored 'Trans proline' 0 N--CA 1.459 -0.556 0 C-N-CA 121.649 1.566 . . . . 0.0 111.191 179.324 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 98.1 mttt 57.72 57.26 4.33 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.287 177.903 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 12.2 t -94.96 -160.85 0.81 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.091 -0.504 . . . . 0.0 111.228 179.201 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 99.5 m-20 -56.43 -46.18 80.41 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.313 -0.403 . . . . 0.0 111.232 -178.152 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 54' ' ' HIS . . . . . . . . . . . . . 99.5 m-70 -136.11 -5.12 2.13 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.313 178.721 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 55' ' ' TYR . . . . . . . . . . . . . 22.1 m-30 -106.76 96.35 6.38 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.983 0.42 . . . . 0.0 111.15 -173.168 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 97.5 m -99.97 123.52 44.31 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.067 -0.515 . . . . 0.0 111.096 -179.196 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 94.6 mt -109.31 121.2 61.97 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.173 179.98 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 99.0 mm-40 -100.94 129.58 46.81 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.298 -0.41 . . . . 0.0 111.226 172.857 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 99.3 mtt180 -115.54 101.97 9.36 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.167 -175.685 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 67.6 t0 -86.77 120.66 28.3 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.365 -0.379 . . . . 0.0 111.157 174.536 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 95.2 mt -68.55 -9.84 51.94 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.029 -0.532 . . . . 0.0 111.187 -171.372 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 96.0 m-20 -65.03 -21.1 66.78 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.339 -0.392 . . . . 0.0 110.971 175.141 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 122.05 21.31 2.89 Favored Glycine 0 CA--C 1.524 0.623 0 N-CA-C 111.057 -0.817 . . . . 0.0 111.057 179.435 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 61.9 m -122.21 137.3 54.88 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 120.89 0.376 . . . . 0.0 111.194 -177.26 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 65' ' ' CYS . . . . . . . . . . . . . 97.3 m -130.01 136.31 49.25 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 116.055 -0.52 . . . . 0.0 111.088 177.824 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 37.4 t -124.56 137.31 54.41 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.017 -0.538 . . . . 0.0 111.122 -176.866 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 68.1 tp -117.22 122.08 42.99 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.164 179.711 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 79.1 t60 -115.34 124.41 51.18 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.297 -0.411 . . . . 0.0 111.351 178.756 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 94.8 m -99.45 119.66 38.35 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.05 172.07 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 82.3 m -61.95 -46.78 87.8 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.071 -0.513 . . . . 0.0 111.345 -176.337 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -144.63 88.36 1.91 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.016 -0.538 . . . . 0.0 111.107 -177.022 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 43.7 t -76.76 106.8 8.65 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.118 -177.225 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 50.6 p -104.51 179.3 4.31 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.245 -179.26 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 98.3 mt -61.26 -26.1 67.53 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 115.985 -0.552 . . . . 0.0 111.316 -178.295 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 98.8 m-20 -79.47 -17.59 53.87 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.069 -0.514 . . . . 0.0 111.071 177.049 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 68.7 m-20 -92.13 -12.01 34.09 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.273 179.072 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 56.5 t0 -55.26 128.14 32.66 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.324 175.306 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 162.24 -165.15 35.87 Favored Glycine 0 CA--C 1.523 0.582 0 N-CA-C 111.242 -0.743 . . . . 0.0 111.242 179.777 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 73.9 m-80 -105.6 108.39 19.88 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.887 0.375 . . . . 0.0 111.16 -174.281 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 80' ' ' TYR . . . . . . . . . . . . . 69.0 m-85 -85.0 70.06 10.88 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.18 178.439 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 88.7 m -68.9 135.04 50.42 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.093 -172.019 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 3.0 tt -107.51 138.77 32.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.146 175.467 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 83' ' ' MET . . . . . . . . . . . . . 59.0 ttm -125.68 129.63 49.94 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.328 -0.396 . . . . 0.0 111.364 179.377 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -98.49 65.33 1.62 Allowed 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.199 176.202 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -77.88 136.27 38.02 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.307 -175.118 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 86' ' ' ASN . . . . . 0.408 ' CB ' ' CD ' ' A' ' 87' ' ' PRO . 35.4 p30 -155.04 175.47 3.1 Favored Pre-proline 0 C--N 1.328 -0.327 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.116 171.273 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 87' ' ' PRO . . . . . 0.408 ' CD ' ' CB ' ' A' ' 86' ' ' ASN . 77.8 Cg_exo -58.02 -25.13 69.09 Favored 'Trans proline' 0 N--CA 1.455 -0.741 0 C-N-CA 121.769 1.646 . . . . 0.0 111.338 -175.725 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 96.6 mm-40 -91.01 -5.1 55.82 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.073 -0.512 . . . . 0.0 111.24 -172.974 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 142.56 177.87 18.0 Favored Glycine 0 CA--C 1.523 0.585 0 N-CA-C 111.283 -0.727 . . . . 0.0 111.283 -179.569 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 40.5 ptt180 -144.54 153.79 42.2 Favored 'General case' 0 C--O 1.234 0.286 0 CA-C-O 120.631 0.253 . . . . 0.0 111.143 -177.555 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 9.2 p -153.72 137.49 8.51 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.401 0 CA-C-N 116.314 -0.403 . . . . 0.0 111.07 177.67 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 98.7 p -111.94 155.37 23.82 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.265 -175.461 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 93' ' ' CYS . . . . . . . . . . . . . 52.8 t -143.17 127.35 17.56 Favored 'General case' 0 C--O 1.236 0.375 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.292 173.504 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 90.3 m -68.97 128.44 36.71 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.408 -0.36 . . . . 0.0 111.315 -171.667 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -101.4 55.39 0.76 Allowed Glycine 0 CA--C 1.523 0.552 0 N-CA-C 111.239 -0.744 . . . . 0.0 111.239 176.412 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 79.5 ttt180 -52.1 114.8 1.43 Allowed 'General case' 0 C--N 1.327 -0.408 0 CA-C-O 120.866 0.365 . . . . 0.0 111.205 -177.222 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 61.4 tp -123.73 109.51 13.78 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.253 171.508 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 98' ' ' MET . . . . . . . . . . . . . 98.9 mmm -97.49 140.04 32.51 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.289 -0.414 . . . . 0.0 111.15 179.731 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 99' ' ' VAL . . . . . 0.414 ' HA ' ' O ' ' A' ' 19' ' ' ILE . 59.2 t -116.91 130.02 72.5 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-N 116.123 -0.489 . . . . 0.0 111.102 -175.607 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 99.5 mm-40 . . . . . 0 C--N 1.328 -0.343 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.222 179.365 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.454 -0.261 0 CA-C-O 120.569 0.223 . . . . 0.0 111.278 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 28.6 Cg_endo -62.01 144.52 96.32 Favored 'Trans proline' 0 N--CA 1.455 -0.747 0 C-N-CA 121.678 1.586 . . . . 0.0 111.29 -179.968 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 84.4 t80 -159.99 140.18 11.68 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 120.871 0.367 . . . . 0.0 111.226 -175.209 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 79.0 m-85 -89.75 99.02 12.11 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.123 177.951 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 88.0 tt0 -57.12 -39.54 75.32 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.043 -0.526 . . . . 0.0 111.299 172.775 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 66.4 ttp -130.27 120.62 24.69 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.048 -0.523 . . . . 0.0 111.124 174.2 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 98.8 mttt -99.55 164.62 12.0 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.263 -171.851 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 96.0 mt -81.67 154.39 26.12 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.309 -179.768 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 97.4 mttt -114.97 -180.0 3.79 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.202 175.892 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 21.0 t-160 -75.03 111.67 10.49 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.119 173.586 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 68.5 m-85 -103.03 147.54 26.83 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.322 -0.399 . . . . 0.0 111.22 -174.529 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 98.9 mttt -135.48 139.91 44.41 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.286 177.307 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 19' ' ' ILE . . . . . 0.445 ' O ' ' HA ' ' A' ' 99' ' ' VAL . 10.4 tp -150.13 147.33 16.18 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.08 -179.391 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 38.5 m-85 -74.93 145.07 42.93 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.235 178.558 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 87.5 tt0 -54.71 122.16 10.08 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.15 -177.564 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 98.19 -13.1 63.49 Favored Glycine 0 CA--C 1.523 0.561 0 N-CA-C 111.261 -0.736 . . . . 0.0 111.261 173.267 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 97.8 mmm -88.23 152.47 50.32 Favored Pre-proline 0 C--N 1.33 -0.27 0 CA-C-O 120.844 0.354 . . . . 0.0 111.292 -176.164 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 74.3 Cg_endo -74.31 150.49 41.86 Favored 'Trans proline' 0 N--CA 1.457 -0.626 0 C-N-CA 121.769 1.646 . . . . 0.0 111.31 177.344 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 8.3 p -149.32 134.82 11.18 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.38 0 CA-C-N 116.275 -0.421 . . . . 0.0 111.135 176.618 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 85.2 m -120.86 134.46 55.29 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.087 -179.37 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 34.4 p90 -150.17 154.67 38.41 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.193 173.799 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 11.9 t -146.24 160.01 42.56 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.343 -166.9 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 29' ' ' CYS . . . . . 0.425 ' SG ' HD11 ' A' ' 82' ' ' ILE . 49.8 t -148.28 150.47 33.71 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.342 -0.39 . . . . 0.0 111.175 -178.701 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 59.1 ttt85 -125.42 132.08 52.8 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.286 -0.415 . . . . 0.0 111.121 -172.721 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 35.9 m -109.72 155.15 10.99 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.242 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.242 176.557 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -145.12 76.81 1.5 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.069 -0.514 . . . . 0.0 111.298 179.68 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -120.76 -167.3 13.3 Favored Glycine 0 CA--C 1.522 0.504 0 N-CA-C 111.344 -0.703 . . . . 0.0 111.344 177.765 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 34' ' ' ASN . . . . . 0.504 ' HA ' ' HA ' ' A' ' 35' ' ' PRO . 54.1 t-20 -155.18 106.12 2.25 Favored Pre-proline 0 CA--C 1.511 -0.555 0 CA-C-O 121.194 0.521 . . . . 0.0 110.942 179.142 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 35' ' ' PRO . . . . . 0.504 ' HA ' ' HA ' ' A' ' 34' ' ' ASN . 26.2 Cg_exo -69.65 156.37 92.53 Favored 'Cis proline' 0 N--CA 1.457 -0.656 0 C-N-CA 121.405 -2.331 . . . . 0.0 111.377 3.838 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 98.9 mttt -55.76 125.21 60.9 Favored Pre-proline 0 C--N 1.33 -0.279 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.146 178.385 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 37' ' ' PRO . . . . . 0.464 ' HA ' ' HB3' ' A' ' 86' ' ' ASN . 77.7 Cg_exo -56.56 144.91 83.38 Favored 'Trans proline' 0 N--CA 1.457 -0.638 0 C-N-CA 121.783 1.656 . . . . 0.0 111.188 -176.272 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 98.7 mttt -88.76 100.03 12.82 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.29 173.872 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 86.2 mt -64.28 117.14 4.47 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.328 -0.396 . . . . 0.0 111.027 -171.899 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 82.5 m-85 -111.73 148.29 33.8 Favored 'General case' 0 C--O 1.234 0.242 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.23 172.738 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 41' ' ' TRP . . . . . . . . . . . . . 91.4 m95 -116.1 140.18 49.54 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.187 179.006 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 46.5 p90 -152.52 147.54 26.33 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.255 169.603 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 11.2 tmtt? -110.01 108.56 18.84 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.188 -173.382 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 60.4 m-20 45.49 42.66 8.11 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.301 -0.409 . . . . 0.0 111.134 -176.795 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 98.18 -2.88 59.77 Favored Glycine 0 CA--C 1.523 0.584 0 N-CA-C 111.189 -0.764 . . . . 0.0 111.189 173.333 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 96.0 mttt -98.56 97.83 9.08 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.811 0.339 . . . . 0.0 111.239 -177.301 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 66.4 tt0 -51.3 129.72 25.36 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.318 -179.116 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 94.2 mt -100.73 124.11 54.12 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.284 -0.417 . . . . 0.0 111.197 -178.084 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 29.5 t -92.05 135.89 26.64 Favored Pre-proline 0 C--N 1.328 -0.346 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.198 175.735 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 50.7 Cg_exo -54.95 143.56 71.93 Favored 'Trans proline' 0 N--CA 1.456 -0.701 0 C-N-CA 121.739 1.626 . . . . 0.0 111.173 176.813 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 98.2 mttt 57.57 53.02 7.7 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.175 176.757 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 13.9 t -94.9 -162.0 0.91 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.101 -0.5 . . . . 0.0 111.159 178.552 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 99.4 m-20 -55.78 -46.95 77.83 Favored 'General case' 0 N--CA 1.454 -0.257 0 CA-C-O 121.039 0.447 . . . . 0.0 111.326 -177.999 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 54' ' ' HIS . . . . . . . . . . . . . 99.2 m-70 -136.15 -5.02 2.12 Favored 'General case' 0 C--O 1.234 0.285 0 CA-C-N 115.993 -0.549 . . . . 0.0 111.255 179.39 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 55' ' ' TYR . . . . . . . . . . . . . 22.3 m-30 -105.19 105.23 15.17 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.073 -173.278 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 98.5 m -106.53 124.62 49.88 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.165 179.028 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 95.7 mt -111.01 122.05 64.79 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 CA-C-N 116.356 -0.384 . . . . 0.0 111.198 179.472 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 97.2 mm-40 -115.16 105.0 12.41 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.081 -0.509 . . . . 0.0 111.273 174.617 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 40.4 ttm105 -100.89 100.02 10.6 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.115 -175.375 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 65.8 t0 -73.64 130.76 40.69 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.06 -0.518 . . . . 0.0 111.206 173.496 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 95.0 mt -66.79 -14.61 62.82 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.189 -174.26 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 22.0 t70 -63.53 -28.02 69.66 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.424 -0.353 . . . . 0.0 111.167 178.105 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 133.33 -4.59 4.87 Favored Glycine 0 CA--C 1.525 0.671 0 N-CA-C 111.109 -0.796 . . . . 0.0 111.109 175.869 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 98.8 m -101.46 134.59 44.32 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.862 0.363 . . . . 0.0 111.27 178.034 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 65' ' ' CYS . . . . . . . . . . . . . 48.6 t -134.8 132.44 38.69 Favored 'General case' 0 C--O 1.235 0.303 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.166 175.848 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 29.5 t -108.63 140.03 42.57 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.341 -0.39 . . . . 0.0 111.276 -177.615 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 64.9 tp -113.46 119.53 37.9 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.996 -0.547 . . . . 0.0 111.117 172.101 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 70.4 t60 -110.62 129.95 55.69 Favored 'General case' 0 C--N 1.332 -0.165 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.155 179.819 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 94.8 m -105.91 118.57 36.95 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.078 -0.51 . . . . 0.0 111.117 172.121 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 80.5 m -65.74 -43.6 88.51 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.229 -175.56 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -142.82 85.93 1.91 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.068 -0.514 . . . . 0.0 111.138 -176.677 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 48.1 t -78.38 107.35 10.95 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.176 -177.269 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 54.0 p -105.61 178.34 4.59 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.066 -0.515 . . . . 0.0 111.129 -179.809 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 95.5 mt -61.79 -25.59 67.58 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.216 -178.413 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 98.7 m-20 -76.44 -20.25 57.25 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.171 174.56 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 67.8 m-20 -92.16 -17.06 25.43 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.245 177.675 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 57.6 t0 -54.73 130.18 39.66 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.379 -0.373 . . . . 0.0 111.201 175.269 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 160.58 -148.84 17.55 Favored Glycine 0 CA--C 1.523 0.56 0 N-CA-C 111.139 -0.784 . . . . 0.0 111.139 179.174 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 44.4 m-80 -119.99 105.37 10.98 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.961 0.41 . . . . 0.0 111.145 -171.041 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 80' ' ' TYR . . . . . . . . . . . . . 32.0 m-85 -84.87 70.47 10.87 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.076 -0.511 . . . . 0.0 111.213 -179.301 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 87.0 m -63.02 133.67 54.93 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.168 -171.792 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 82' ' ' ILE . . . . . 0.425 HD11 ' SG ' ' A' ' 29' ' ' CYS . 6.0 tt -104.59 140.09 23.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.31 -0.405 . . . . 0.0 111.146 177.287 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 83' ' ' MET . . . . . . . . . . . . . 63.6 tpp -119.44 119.91 35.3 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.38 -0.373 . . . . 0.0 111.35 -177.44 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -88.45 71.89 8.93 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.031 174.717 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -83.16 125.07 31.13 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.273 -176.026 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 86' ' ' ASN . . . . . 0.464 ' HB3' ' HA ' ' A' ' 37' ' ' PRO . 27.3 p-10 -147.62 177.94 1.61 Allowed Pre-proline 0 C--N 1.329 -0.313 0 CA-C-N 116.049 -0.523 . . . . 0.0 111.102 173.324 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 87' ' ' PRO . . . . . 0.456 ' CD ' ' CB ' ' A' ' 86' ' ' ASN . 70.7 Cg_exo -59.17 -24.93 76.13 Favored 'Trans proline' 0 N--CA 1.457 -0.642 0 C-N-CA 121.571 1.514 . . . . 0.0 111.263 -175.136 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 96.9 mm-40 -94.49 1.96 55.72 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.068 -171.153 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 137.37 -162.14 25.36 Favored Glycine 0 CA--C 1.523 0.559 0 N-CA-C 111.319 -0.712 . . . . 0.0 111.319 179.362 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 40.8 ptt180 -152.36 145.59 24.68 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.71 0.291 . . . . 0.0 111.172 178.356 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 60.6 t -134.24 130.17 54.18 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.185 177.206 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 90.7 p -95.3 157.31 15.95 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.293 -179.429 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 93' ' ' CYS . . . . . . . . . . . . . 51.8 t -150.73 129.99 12.79 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.169 170.831 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 89.2 m -66.83 127.5 32.71 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.247 -172.828 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -100.03 57.02 0.82 Allowed Glycine 0 CA--C 1.524 0.613 0 N-CA-C 111.165 -0.774 . . . . 0.0 111.165 175.772 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 80.1 ttt180 -52.95 113.45 1.1 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.763 0.316 . . . . 0.0 111.304 -176.231 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 63.8 tp -123.83 110.22 14.6 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.102 172.343 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 98' ' ' MET . . . . . . . . . . . . . 98.8 mmm -97.17 144.3 27.14 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.251 179.904 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 99' ' ' VAL . . . . . 0.445 ' HA ' ' O ' ' A' ' 19' ' ' ILE . 96.5 t -114.44 130.2 69.16 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.385 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.22 -177.167 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 96.5 mm-40 . . . . . 0 C--N 1.33 -0.273 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.118 -174.758 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 7' ' ' ALA . . . . . 0.401 ' HA ' ' HD3' ' A' ' 8' ' ' PRO . . . . . . . . 0 N--CA 1.457 -0.108 0 CA-C-O 120.811 0.339 . . . . 0.0 111.273 . . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 8' ' ' PRO . . . . . 0.401 ' HD3' ' HA ' ' A' ' 7' ' ' ALA . 57.7 Cg_exo -55.0 135.8 70.24 Favored 'Trans proline' 0 N--CA 1.458 -0.61 0 C-N-CA 121.768 1.645 . . . . 0.0 111.209 179.535 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 90.0 t80 -154.27 123.87 6.62 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.37 -0.377 . . . . 0.0 111.192 178.469 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 72.1 m-85 -70.1 86.19 0.55 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.099 179.899 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 15.7 pt-20 -65.0 -21.33 66.83 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.269 172.112 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 67.1 ttp -133.34 113.52 12.67 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.086 -0.507 . . . . 0.0 111.118 168.287 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 99.0 mttt -96.75 165.89 11.91 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.259 -170.613 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 96.2 mt -83.39 171.89 13.03 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.14 177.183 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 64.1 pttt -134.9 178.85 6.7 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.176 175.336 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 18.0 t-160 -72.33 108.21 5.33 Favored 'General case' 0 C--O 1.234 0.245 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.123 174.618 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 85.7 m-85 -95.26 143.98 26.21 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.487 -0.324 . . . . 0.0 111.285 -175.79 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 98.9 mttt -134.77 139.28 45.02 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.103 -0.499 . . . . 0.0 111.098 177.459 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 10.4 tp -149.0 150.46 13.97 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.101 -0.5 . . . . 0.0 111.157 -178.364 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 38.3 m-85 -79.0 145.06 34.13 Favored 'General case' 0 C--O 1.232 0.161 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.295 173.582 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 86.9 tt0 -55.09 124.92 18.42 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.312 -0.404 . . . . 0.0 111.075 -177.159 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 102.45 -16.36 55.15 Favored Glycine 0 CA--C 1.524 0.599 0 N-CA-C 111.199 -0.76 . . . . 0.0 111.199 173.378 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 98.1 mmm -85.03 153.99 60.35 Favored Pre-proline 0 C--N 1.328 -0.354 0 CA-C-O 120.712 0.292 . . . . 0.0 111.352 -176.184 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 72.3 Cg_endo -75.42 154.2 40.37 Favored 'Trans proline' 0 C--N 1.326 -0.617 0 C-N-CA 121.752 1.635 . . . . 0.0 111.265 179.495 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 59.3 t -133.19 124.96 50.45 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-N 116.324 -0.398 . . . . 0.0 111.206 178.045 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 91.4 m -127.63 123.42 35.57 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.094 -179.069 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 52.0 p90 -157.84 164.98 36.42 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.071 -0.513 . . . . 0.0 111.202 172.581 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 12.5 t -145.89 161.26 40.42 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.237 -171.233 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 11.5 t -139.45 148.89 43.36 Favored 'General case' 0 C--O 1.234 0.264 0 CA-C-N 116.354 -0.384 . . . . 0.0 111.312 179.99 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 78.3 ttt180 -132.96 138.92 47.06 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-O 120.843 0.354 . . . . 0.0 111.219 -174.218 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 30.8 m -124.7 148.81 28.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.092 -0.503 . . . . 0.0 111.177 -179.881 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -99.15 65.02 1.41 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.25 174.797 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -104.61 160.49 15.56 Favored Glycine 0 CA--C 1.522 0.531 0 N-CA-C 111.201 -0.76 . . . . 0.0 111.201 -174.941 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 34' ' ' ASN . . . . . 0.466 ' HA ' ' C ' ' A' ' 35' ' ' PRO . 54.2 t-20 -156.23 107.05 2.06 Favored Pre-proline 0 CA--C 1.511 -0.545 0 CA-C-O 121.131 0.491 . . . . 0.0 110.937 177.719 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 35' ' ' PRO . . . . . 0.466 ' C ' ' HA ' ' A' ' 34' ' ' ASN . 24.5 Cg_exo -74.49 165.55 85.2 Favored 'Cis proline' 0 N--CA 1.457 -0.639 0 C-N-CA 121.539 -2.275 . . . . 0.0 111.28 9.306 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 36' ' ' LYS . . . . . 0.464 ' HD2' ' N ' ' A' ' 36' ' ' LYS . 4.2 mptp? -59.91 115.45 12.99 Favored Pre-proline 0 C--N 1.328 -0.358 0 CA-C-N 116.045 -0.525 . . . . 0.0 111.057 -179.065 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 52.7 Cg_exo -57.13 145.39 86.66 Favored 'Trans proline' 0 N--CA 1.46 -0.478 0 C-N-CA 121.559 1.506 . . . . 0.0 111.262 -177.945 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 99.7 mttt -80.83 69.7 7.44 Favored 'General case' 0 N--CA 1.455 -0.194 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.536 176.223 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 88.1 mt -42.6 122.18 0.45 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.085 -0.507 . . . . 0.0 111.202 -172.86 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 75.3 m-85 -109.64 150.01 28.87 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.124 174.705 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 41' ' ' TRP . . . . . . . . . . . . . 92.2 m95 -115.86 141.67 47.79 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.089 -0.505 . . . . 0.0 111.12 173.111 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 40.6 p90 -150.52 146.17 26.43 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.088 -0.505 . . . . 0.0 111.326 171.034 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 12.3 tmtt? -109.98 110.0 20.78 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.193 -172.581 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 89.3 m-20 53.9 33.36 17.08 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.068 -176.565 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 96.58 -0.8 61.51 Favored Glycine 0 CA--C 1.525 0.688 0 N-CA-C 111.154 -0.778 . . . . 0.0 111.154 176.787 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 96.9 mttt -95.07 100.04 11.93 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.834 0.349 . . . . 0.0 111.234 -178.367 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 66.3 tt0 -51.09 127.31 18.74 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.248 -178.474 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 95.0 mt -96.93 124.95 50.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.278 -178.924 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 30.3 t -84.34 130.23 54.8 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-N 116.393 -0.367 . . . . 0.0 111.221 174.289 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 52.9 Cg_exo -54.82 139.89 78.05 Favored 'Trans proline' 0 N--CA 1.456 -0.693 0 C-N-CA 121.587 1.525 . . . . 0.0 111.209 178.006 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 98.1 mttt 58.65 54.68 5.19 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.112 -0.495 . . . . 0.0 111.192 177.593 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 14.9 t -94.9 -162.08 0.92 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.189 178.831 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 99.6 m-20 -55.62 -45.36 77.54 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.224 -177.439 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 54' ' ' HIS . . . . . . . . . . . . . 99.7 m-70 -136.16 -5.0 2.12 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.069 -0.514 . . . . 0.0 111.176 -179.634 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 55' ' ' TYR . . . . . . . . . . . . . 22.0 m-30 -108.54 96.27 6.23 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 120.991 0.424 . . . . 0.0 111.079 -173.103 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 98.3 m -98.24 124.89 43.08 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.115 179.914 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 95.9 mt -115.3 128.15 72.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.194 179.063 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 68.7 tp60 -122.39 110.03 15.14 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.217 177.003 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 41.6 ttm105 -100.77 100.02 10.63 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.332 -0.395 . . . . 0.0 111.211 -174.511 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 67.3 t0 -71.08 123.68 22.68 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.303 170.061 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 98.2 mt -74.59 -1.14 20.24 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.055 -0.52 . . . . 0.0 111.19 -170.205 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 96.7 m-20 -74.54 -14.16 60.76 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.353 -0.385 . . . . 0.0 110.977 174.0 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 121.1 21.81 3.05 Favored Glycine 0 CA--C 1.522 0.506 0 N-CA-C 111.098 -0.801 . . . . 0.0 111.098 177.284 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 63.9 m -129.24 140.02 51.62 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.767 0.318 . . . . 0.0 111.264 -178.695 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 65' ' ' CYS . . . . . . . . . . . . . 48.6 t -140.02 131.31 26.68 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.18 178.617 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 30.1 t -108.71 141.26 40.96 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.124 -177.971 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 61.1 tp -115.78 123.13 47.47 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.133 175.114 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 79.4 t60 -117.17 122.81 45.08 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.284 179.158 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 96.3 m -99.6 119.84 38.72 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.291 171.455 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 84.2 m -63.5 -46.4 86.26 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.331 -0.395 . . . . 0.0 111.303 -176.006 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -144.8 88.44 1.91 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.046 -176.448 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 47.2 t -76.57 110.05 10.82 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.033 -177.076 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 52.6 p -110.08 179.94 3.96 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.06 -0.518 . . . . 0.0 111.182 179.788 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 97.6 mt -61.93 -26.75 68.37 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.277 -178.536 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 98.7 m-20 -77.02 -17.89 58.52 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 116.091 -0.504 . . . . 0.0 111.094 175.486 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 68.2 m-20 -93.97 -15.58 24.75 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.125 178.287 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 57.2 t0 -54.85 128.46 33.24 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.12 175.353 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 161.5 -164.22 34.96 Favored Glycine 0 CA--C 1.523 0.594 0 N-CA-C 111.24 -0.744 . . . . 0.0 111.24 179.804 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 74.6 m-80 -105.04 107.62 18.69 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-O 120.894 0.378 . . . . 0.0 111.139 -174.238 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 80' ' ' TYR . . . . . . . . . . . . . 51.1 m-85 -84.65 70.37 10.76 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.062 -0.517 . . . . 0.0 111.266 178.383 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 85.8 m -64.49 133.86 53.28 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-N 116.303 -0.408 . . . . 0.0 111.216 -171.596 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 3.9 tt -104.59 142.63 17.56 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.062 178.102 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 83' ' ' MET . . . . . . . . . . . . . 67.8 ttp -132.84 117.17 17.41 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.364 178.919 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -93.1 90.77 7.02 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.317 -0.401 . . . . 0.0 111.17 178.904 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -98.15 126.64 43.7 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.219 -174.383 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 86' ' ' ASN . . . . . 0.489 ' CB ' ' CD ' ' A' ' 87' ' ' PRO . 22.8 p-10 -141.8 179.88 1.12 Allowed Pre-proline 0 C--N 1.328 -0.35 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.205 172.422 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 87' ' ' PRO . . . . . 0.489 ' CD ' ' CB ' ' A' ' 86' ' ' ASN . 78.4 Cg_exo -59.12 -25.94 79.86 Favored 'Trans proline' 0 N--CA 1.457 -0.664 0 C-N-CA 121.743 1.628 . . . . 0.0 111.262 -175.179 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 97.6 mm-40 -92.38 -4.99 52.99 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.255 -170.626 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 141.9 -165.22 26.61 Favored Glycine 0 CA--C 1.524 0.618 0 N-CA-C 111.192 -0.763 . . . . 0.0 111.192 -179.58 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 41.2 ptt180 -150.02 159.93 44.02 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 120.596 0.236 . . . . 0.0 111.181 -179.418 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 14.8 p -151.77 139.83 14.12 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.337 -0.392 . . . . 0.0 111.09 178.185 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 69.3 m -118.45 153.25 34.43 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.154 -171.767 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 93' ' ' CYS . . . . . . . . . . . . . 50.4 t -150.01 136.26 18.86 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.24 175.266 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 89.2 m -69.57 128.95 38.29 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.301 -0.409 . . . . 0.0 111.217 -174.298 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -101.82 55.99 0.71 Allowed Glycine 0 CA--C 1.523 0.533 0 N-CA-C 111.174 -0.77 . . . . 0.0 111.174 176.726 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 79.8 ttt180 -52.86 115.48 1.85 Allowed 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 120.637 0.256 . . . . 0.0 111.219 -176.836 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 60.6 tp -124.39 109.99 13.99 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.264 -0.425 . . . . 0.0 111.104 172.04 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 98' ' ' MET . . . . . . . . . . . . . 98.8 mmm -97.72 141.8 30.29 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.373 -179.796 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 68.0 t -116.97 125.03 73.65 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.431 0 CA-C-N 116.288 -0.414 . . . . 0.0 111.301 -177.031 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 64.1 tt0 . . . . . 0 C--N 1.329 -0.302 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.162 177.857 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.455 -0.207 0 CA-C-O 120.772 0.32 . . . . 0.0 111.142 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 60.1 Cg_endo -73.78 154.01 48.58 Favored 'Trans proline' 0 N--CA 1.457 -0.675 0 C-N-CA 121.655 1.57 . . . . 0.0 111.233 -177.437 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 55.6 p90 -155.01 154.53 32.65 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.329 -0.396 . . . . 0.0 111.047 175.69 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 71.9 m-85 -80.44 121.26 25.51 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.078 -174.854 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 87.4 tt0 -77.06 -30.13 55.44 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.152 167.738 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 68.3 ttp -145.0 113.02 6.42 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.258 177.076 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 99.3 mttt -92.12 168.7 11.18 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.375 -172.04 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 97.6 mt -81.18 171.52 14.79 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.299 176.022 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 64.0 pttt -135.23 179.66 6.19 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.353 175.994 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 18.1 t-160 -71.69 107.22 4.41 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.198 175.599 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 80.3 m-85 -95.92 145.11 25.66 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.271 -176.895 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 98.9 mttt -133.96 139.6 46.21 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.149 176.853 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 10.8 tp -148.88 150.0 14.44 Favored 'Isoleucine or valine' 0 C--O 1.233 0.222 0 CA-C-N 116.056 -0.52 . . . . 0.0 111.205 -179.658 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 16.5 m-30 -75.59 144.84 41.58 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.31 -0.405 . . . . 0.0 111.42 172.154 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 85.1 tt0 -54.91 125.77 21.66 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.275 -0.421 . . . . 0.0 111.1 -176.984 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 101.19 -14.45 58.33 Favored Glycine 0 CA--C 1.525 0.687 0 N-CA-C 111.138 -0.785 . . . . 0.0 111.138 171.404 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 88.6 mtp -86.21 155.13 57.66 Favored Pre-proline 0 C--N 1.326 -0.417 0 CA-C-O 120.885 0.374 . . . . 0.0 111.288 -177.056 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 72.7 Cg_endo -75.16 154.99 42.15 Favored 'Trans proline' 0 N--CA 1.458 -0.562 0 C-N-CA 121.638 1.559 . . . . 0.0 111.15 179.457 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 61.9 t -133.31 125.6 51.15 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.147 178.112 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 87.6 m -124.5 122.96 39.05 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.117 -179.11 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 47.1 p90 -155.22 168.14 28.05 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.171 172.119 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 13.4 t -148.38 157.64 43.6 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.175 -173.446 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 12.5 t -139.53 143.89 37.63 Favored 'General case' 0 C--O 1.234 0.269 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.187 -178.868 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 60.3 ttt85 -120.3 129.77 54.16 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.39 -0.368 . . . . 0.0 111.256 -174.793 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . 0.423 HG22 ' HB3' ' A' ' 84' ' ' ALA . 71.6 t -118.95 124.74 73.68 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.395 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.311 179.863 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -94.16 64.97 3.33 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.042 -0.526 . . . . 0.0 111.295 178.826 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -95.79 171.49 28.9 Favored Glycine 0 CA--C 1.523 0.543 0 N-CA-C 111.136 -0.785 . . . . 0.0 111.136 -176.462 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 34' ' ' ASN . . . . . 0.493 ' HA ' ' HA ' ' A' ' 35' ' ' PRO . 54.2 t-20 -161.26 106.51 1.23 Allowed Pre-proline 0 CA--C 1.511 -0.555 0 CA-C-O 121.208 0.528 . . . . 0.0 110.927 -178.424 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 35' ' ' PRO . . . . . 0.493 ' HA ' ' HA ' ' A' ' 34' ' ' ASN . 23.7 Cg_exo -74.37 168.21 77.61 Favored 'Cis proline' 0 N--CA 1.458 -0.603 0 C-N-CA 121.575 -2.26 . . . . 0.0 111.096 7.844 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 69.0 mmtt -52.68 114.54 5.85 Favored Pre-proline 0 C--N 1.332 -0.186 0 CA-C-N 116.059 -0.519 . . . . 0.0 111.199 178.489 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 35.1 Cg_exo -63.51 157.51 50.59 Favored 'Trans proline' 0 N--CA 1.46 -0.457 0 C-N-CA 121.495 1.463 . . . . 0.0 111.178 -177.447 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 98.7 mttt -88.72 70.26 8.75 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.332 174.29 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 95.4 mt -42.39 121.9 0.42 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.061 -0.518 . . . . 0.0 111.22 -173.047 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 76.2 m-85 -109.96 151.05 27.61 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.303 -0.408 . . . . 0.0 111.235 174.769 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 41' ' ' TRP . . . . . . . . . . . . . 86.1 m95 -119.74 141.82 49.1 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.255 174.265 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 38.8 p90 -152.31 146.25 25.23 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.087 -0.506 . . . . 0.0 111.298 172.026 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 11.8 tmtt? -109.96 109.99 20.77 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.127 -174.723 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 95.8 m-20 54.54 31.48 14.99 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.195 -176.493 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 103.77 -19.5 44.17 Favored Glycine 0 CA--C 1.524 0.605 0 N-CA-C 111.217 -0.753 . . . . 0.0 111.217 177.343 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 88.1 tttt -79.67 109.97 14.57 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 120.77 0.319 . . . . 0.0 111.234 -176.753 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 65.8 tt0 -58.1 130.1 45.05 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.205 -177.995 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 91.3 mt -99.42 124.9 53.02 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.319 -0.4 . . . . 0.0 111.21 -179.392 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 30.1 t -89.2 134.11 33.74 Favored Pre-proline 0 C--N 1.326 -0.418 0 CA-C-N 116.399 -0.364 . . . . 0.0 111.185 174.175 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 63.7 Cg_exo -54.03 136.18 66.22 Favored 'Trans proline' 0 N--CA 1.456 -0.698 0 C-N-CA 121.646 1.564 . . . . 0.0 111.223 178.341 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 97.7 mttt 59.17 57.97 3.26 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.341 -0.39 . . . . 0.0 111.258 179.067 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 15.0 t -95.02 -160.81 0.81 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.171 178.537 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 99.0 m-20 -54.27 -45.55 72.47 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.182 -177.983 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 54' ' ' HIS . . . . . . . . . . . . . 99.5 m-70 -137.36 -5.19 1.83 Allowed 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.276 179.017 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 55' ' ' TYR . . . . . . . . . . . . . 22.0 m-30 -106.42 95.86 6.06 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 121.196 0.522 . . . . 0.0 111.058 -171.777 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 98.1 m -97.38 119.6 36.21 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.093 -179.781 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 96.9 mt -105.68 127.18 60.81 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.208 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.337 177.724 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 87.1 mt-30 -119.95 100.46 7.24 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.3 -0.409 . . . . 0.0 111.258 175.077 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 55.3 ttp180 -101.47 117.76 35.58 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.191 -173.598 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 65.6 t0 -100.56 132.56 45.89 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.322 -0.399 . . . . 0.0 111.201 176.784 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 95.3 mt -65.0 -16.47 63.47 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.265 -177.518 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 33.6 t70 -56.89 -33.26 66.72 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.323 -0.399 . . . . 0.0 111.143 175.496 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 133.54 -10.81 4.95 Favored Glycine 0 CA--C 1.522 0.523 0 N-CA-C 111.107 -0.797 . . . . 0.0 111.107 177.293 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 99.5 m -99.27 130.56 45.57 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.876 0.37 . . . . 0.0 111.282 178.495 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 65' ' ' CYS . . . . . . . . . . . . . 42.7 t -132.4 129.92 39.97 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.113 177.019 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 63.2 m -105.92 148.54 27.51 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.241 -175.333 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 61.5 tp -125.83 120.86 31.64 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.234 173.497 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 82.4 t60 -113.84 123.7 50.44 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.261 179.064 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 95.8 m -98.86 119.91 38.41 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.099 -0.5 . . . . 0.0 111.07 171.837 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 79.0 m -65.1 -44.99 87.01 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.183 -175.676 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -144.65 88.38 1.91 Allowed 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 116.299 -0.409 . . . . 0.0 111.196 -176.106 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 46.6 t -78.9 106.94 11.28 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.205 -177.512 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 51.1 p -109.16 -179.17 3.77 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.157 -179.96 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 97.4 mt -60.76 -28.44 68.72 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.01 -0.541 . . . . 0.0 111.129 -178.379 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 98.8 m-20 -76.74 -17.61 58.97 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.176 176.348 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 66.9 m-20 -95.08 -15.19 23.61 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.157 178.51 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 57.4 t0 -54.72 127.34 27.81 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.23 174.422 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 162.59 -165.07 36.04 Favored Glycine 0 CA--C 1.524 0.627 0 N-CA-C 111.224 -0.75 . . . . 0.0 111.224 179.996 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 74.2 m-80 -104.62 108.59 20.12 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.748 0.309 . . . . 0.0 111.059 -175.029 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 80' ' ' TYR . . . . . . . . . . . . . 37.8 m-85 -84.54 69.94 10.65 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.199 178.144 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 86.8 m -65.25 134.94 54.73 Favored 'General case' 0 C--O 1.234 0.273 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.249 -172.655 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 1.5 tt -107.06 140.04 26.58 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.409 0 CA-C-O 120.879 0.371 . . . . 0.0 111.097 175.66 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 83' ' ' MET . . . . . . . . . . . . . 60.3 ttm -133.14 114.53 13.98 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.289 -178.088 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 84' ' ' ALA . . . . . 0.423 ' HB3' HG22 ' A' ' 31' ' ' VAL . . . -93.16 89.93 6.65 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.073 -179.548 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -93.11 128.35 38.99 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.31 -0.404 . . . . 0.0 111.216 -177.412 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 86' ' ' ASN . . . . . 0.478 ' CB ' ' CD ' ' A' ' 87' ' ' PRO . 22.8 p30 -140.58 179.17 1.31 Allowed Pre-proline 0 C--N 1.328 -0.344 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.196 173.464 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 87' ' ' PRO . . . . . 0.478 ' CD ' ' CB ' ' A' ' 86' ' ' ASN . 71.5 Cg_exo -58.58 -27.76 83.65 Favored 'Trans proline' 0 N--CA 1.456 -0.714 0 C-N-CA 121.858 1.705 . . . . 0.0 111.249 -173.607 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 98.6 mm-40 -99.78 4.97 45.61 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.087 -0.506 . . . . 0.0 111.201 -169.052 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 136.38 -168.92 23.95 Favored Glycine 0 CA--C 1.523 0.538 0 N-CA-C 111.33 -0.708 . . . . 0.0 111.33 178.03 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 39.7 ptt180 -144.85 159.1 43.43 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.74 0.305 . . . . 0.0 111.073 -177.912 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 14.9 p -150.71 135.1 9.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.086 -0.506 . . . . 0.0 111.069 177.451 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 93.3 p -117.96 157.98 25.75 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.389 -170.909 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 93' ' ' CYS . . . . . . . . . . . . . 53.8 t -150.76 135.04 16.97 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.428 174.108 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 85.5 m -72.12 130.03 39.9 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.316 -0.402 . . . . 0.0 111.249 -174.037 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -102.63 55.65 0.67 Allowed Glycine 0 CA--C 1.524 0.616 0 N-CA-C 111.219 -0.752 . . . . 0.0 111.219 177.803 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 79.3 ttt180 -51.7 115.3 1.58 Allowed 'General case' 0 C--N 1.326 -0.429 0 CA-C-O 120.777 0.323 . . . . 0.0 111.21 -178.015 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 58.9 tp -124.79 109.91 13.67 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.323 172.043 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 98' ' ' MET . . . . . . . . . . . . . 98.7 mmm -97.96 141.48 30.87 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.121 -179.06 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 77.8 t -117.1 125.0 73.68 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.262 -177.341 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 64.0 tt0 . . . . . 0 C--N 1.33 -0.261 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.172 -179.863 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 7' ' ' ALA . . . . . 0.406 ' HA ' ' HD3' ' A' ' 8' ' ' PRO . . . . . . . . 0 N--CA 1.456 -0.165 0 CA-C-O 120.835 0.35 . . . . 0.0 111.096 . . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 8' ' ' PRO . . . . . 0.406 ' HD3' ' HA ' ' A' ' 7' ' ' ALA . 65.9 Cg_exo -55.77 131.32 45.36 Favored 'Trans proline' 0 N--CA 1.458 -0.562 0 C-N-CA 121.552 1.502 . . . . 0.0 111.229 -179.029 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 92.0 t80 -155.12 124.11 6.2 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.311 -0.404 . . . . 0.0 111.058 172.137 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 44.3 m-85 -69.95 91.52 0.67 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.083 -0.508 . . . . 0.0 111.041 -176.311 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 17.1 pt-20 -62.44 -20.04 64.11 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.141 -0.482 . . . . 0.0 111.184 175.182 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 66.7 ttp -137.61 107.22 6.19 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.147 -0.478 . . . . 0.0 111.162 172.514 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 99.5 mttt -92.6 173.74 7.63 Favored 'General case' 0 C--O 1.233 0.2 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.239 -174.606 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 96.5 mt -81.85 153.19 26.52 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.181 -177.421 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 97.1 mttt -106.09 165.03 11.51 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.207 177.853 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 23.2 t-160 -89.18 110.03 20.82 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.141 175.839 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 97.0 m-85 -98.54 145.44 26.8 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.417 -0.356 . . . . 0.0 111.247 -175.506 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 97.5 mttt -113.34 92.86 4.15 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.234 175.192 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 19' ' ' ILE . . . . . 0.452 ' O ' ' HA ' ' A' ' 99' ' ' VAL . 43.0 mm -110.01 140.06 30.62 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.079 -168.1 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 49.3 m-85 -72.68 146.79 46.28 Favored 'General case' 0 CA--C 1.52 -0.185 0 CA-C-N 116.072 -0.513 . . . . 0.0 111.323 179.073 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 87.8 tt0 -55.04 120.68 7.29 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.276 179.045 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 94.14 -11.69 70.23 Favored Glycine 0 CA--C 1.523 0.575 0 N-CA-C 111.311 -0.715 . . . . 0.0 111.311 177.024 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 26.3 ttt -79.96 136.78 54.03 Favored Pre-proline 0 C--N 1.328 -0.339 0 CA-C-O 120.864 0.364 . . . . 0.0 111.286 -177.635 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 62.5 Cg_endo -71.02 148.83 57.74 Favored 'Trans proline' 0 C--N 1.327 -0.553 0 C-N-CA 121.546 1.497 . . . . 0.0 111.2 177.03 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 7.6 p -148.81 134.89 12.19 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.093 176.881 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 87.0 m -113.09 130.52 56.14 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.155 177.658 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 27.2 p90 -146.95 153.24 39.86 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.137 177.972 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 9.5 t -149.21 157.04 43.03 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.249 -167.496 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 21.3 t -140.41 144.14 36.01 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.289 -0.414 . . . . 0.0 111.258 -178.658 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 78.5 ttt180 -125.82 135.92 52.53 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.431 -0.35 . . . . 0.0 111.174 -176.129 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 7.5 p -122.26 128.97 75.65 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.374 0 CA-C-N 116.068 -0.515 . . . . 0.0 111.16 -176.535 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -86.95 64.98 8.77 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.069 -0.514 . . . . 0.0 111.334 178.214 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -105.46 157.06 16.46 Favored Glycine 0 CA--C 1.521 0.441 0 N-CA-C 111.192 -0.763 . . . . 0.0 111.192 -176.861 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 34' ' ' ASN . . . . . 0.468 ' HA ' ' C ' ' A' ' 35' ' ' PRO . 54.0 t-20 -154.99 108.93 2.3 Favored Pre-proline 0 CA--C 1.51 -0.59 0 CA-C-O 121.225 0.536 . . . . 0.0 111.002 177.028 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 35' ' ' PRO . . . . . 0.468 ' C ' ' HA ' ' A' ' 34' ' ' ASN . 24.1 Cg_exo -74.9 169.46 74.41 Favored 'Cis proline' 0 N--CA 1.456 -0.695 0 C-N-CA 121.581 -2.258 . . . . 0.0 111.179 9.152 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 36' ' ' LYS . . . . . 0.447 ' HD2' ' N ' ' A' ' 36' ' ' LYS . 4.0 mptp? -59.06 115.75 13.2 Favored Pre-proline 0 C--N 1.33 -0.24 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.068 -178.843 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 37' ' ' PRO . . . . . 0.426 ' HD3' ' HA ' ' A' ' 36' ' ' LYS . 50.2 Cg_exo -60.07 156.56 38.74 Favored 'Trans proline' 0 N--CA 1.458 -0.613 0 C-N-CA 121.646 1.564 . . . . 0.0 111.149 -176.102 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 99.4 mttt -83.54 82.49 8.28 Favored 'General case' 0 C--N 1.332 -0.159 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.352 176.256 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 94.1 mt -55.96 125.04 10.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.081 -173.552 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 73.1 m-85 -111.9 145.04 40.23 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.257 -0.428 . . . . 0.0 111.176 175.038 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 41' ' ' TRP . . . . . . . . . . . . . 68.5 m95 -119.91 133.88 55.42 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.06 -0.518 . . . . 0.0 111.22 175.918 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 35.1 p90 -151.93 142.54 22.73 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.11 -0.496 . . . . 0.0 111.321 172.275 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 14.0 tmtt? -109.39 110.04 21.07 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.232 -174.856 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 95.0 m-20 55.03 32.55 18.41 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.363 -0.38 . . . . 0.0 111.034 -174.894 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 94.97 0.38 63.84 Favored Glycine 0 CA--C 1.523 0.538 0 N-CA-C 111.201 -0.76 . . . . 0.0 111.201 177.099 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 97.1 mttt -95.05 100.21 12.08 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.941 0.4 . . . . 0.0 111.077 -178.887 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 66.4 tt0 -50.88 129.97 24.31 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.302 -178.113 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 93.4 mt -100.02 123.66 52.99 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-N 116.309 -0.405 . . . . 0.0 111.148 -177.648 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 49' ' ' SER . . . . . 0.4 ' HA ' ' HD3' ' A' ' 50' ' ' PRO . 30.0 t -89.88 134.13 32.58 Favored Pre-proline 0 C--N 1.327 -0.374 0 CA-C-N 116.246 -0.433 . . . . 0.0 111.227 175.236 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 50' ' ' PRO . . . . . 0.4 ' HD3' ' HA ' ' A' ' 49' ' ' SER . 52.1 Cg_exo -54.91 139.05 78.85 Favored 'Trans proline' 0 N--CA 1.458 -0.594 0 C-N-CA 121.703 1.602 . . . . 0.0 111.223 177.919 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 98.3 mttt 57.9 54.62 5.95 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.227 177.435 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 14.9 t -94.91 -162.11 0.92 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.214 178.949 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 99.7 m-20 -55.79 -45.09 78.3 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.259 -177.11 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 54' ' ' HIS . . . . . . . . . . . . . 99.7 m-70 -135.97 -5.06 2.16 Favored 'General case' 0 C--O 1.234 0.286 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.253 -179.503 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 55' ' ' TYR . . . . . . . . . . . . . 21.0 m-30 -108.97 95.58 5.74 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 121.089 0.471 . . . . 0.0 111.158 -173.57 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 97.2 m -99.52 123.2 43.57 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.18 179.633 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 94.7 mt -109.97 123.53 65.94 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.228 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.143 -177.715 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 99.0 mm-40 -106.35 138.21 42.94 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.147 170.473 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 94.2 mtt-85 -120.01 103.27 9.17 Favored 'General case' 0 C--O 1.234 0.251 0 CA-C-N 116.292 -0.413 . . . . 0.0 111.248 -172.631 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 68.0 t0 -84.95 120.3 26.35 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.305 -0.407 . . . . 0.0 111.214 171.653 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 95.9 mt -70.62 -7.29 43.09 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.141 -170.293 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 96.1 m-20 -70.29 -16.08 62.97 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.282 -0.417 . . . . 0.0 111.191 176.203 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 120.73 23.41 2.8 Favored Glycine 0 CA--C 1.523 0.592 0 N-CA-C 111.029 -0.828 . . . . 0.0 111.029 177.844 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 73.7 m -125.05 139.28 53.94 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-O 120.873 0.368 . . . . 0.0 111.236 -179.938 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 65' ' ' CYS . . . . . . . . . . . . . 37.4 t -135.69 134.32 39.02 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.066 -0.515 . . . . 0.0 111.196 177.11 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 37.6 t -117.75 132.01 56.52 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.217 -175.961 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 60.6 tp -111.92 118.43 35.46 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.282 176.092 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 76.7 t60 -102.19 126.84 49.27 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.335 175.762 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 97.7 m -100.28 115.13 29.21 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.106 172.216 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 81.9 m -65.53 -40.3 92.76 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.255 -175.752 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -141.33 88.87 2.18 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.056 -0.52 . . . . 0.0 111.311 -177.444 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 23.3 t -76.89 80.87 3.46 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.141 -176.982 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 62.4 p -85.09 177.79 7.78 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.056 -179.832 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 98.8 mt -61.93 -26.76 68.37 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 115.981 -0.554 . . . . 0.0 111.275 -176.177 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 99.8 m-20 -75.92 -19.54 58.72 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.13 176.165 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 68.9 m-20 -91.89 -7.73 48.42 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.352 178.901 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 54.6 t0 -64.26 127.87 33.34 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.247 171.173 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 156.78 -160.52 30.38 Favored Glycine 0 CA--C 1.524 0.607 0 N-CA-C 111.315 -0.714 . . . . 0.0 111.315 -178.042 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 72.5 m-80 -104.74 106.75 17.37 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.708 0.29 . . . . 0.0 111.204 -171.171 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 80' ' ' TYR . . . . . . . . . . . . . 90.5 m-85 -80.48 69.91 7.06 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.293 -0.412 . . . . 0.0 111.245 174.585 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 86.7 m -68.34 130.09 41.87 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.067 -171.943 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 5.3 tt -112.22 139.79 35.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.062 177.601 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 83' ' ' MET . . . . . . . . . . . . . 66.4 ttp -130.11 122.39 28.17 Favored 'General case' 0 C--O 1.233 0.209 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.262 -179.941 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -106.3 92.83 4.3 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.317 -0.401 . . . . 0.0 111.121 179.758 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -103.14 131.05 50.45 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.251 -174.084 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 86' ' ' ASN . . . . . 0.489 ' CB ' ' CD ' ' A' ' 87' ' ' PRO . 24.9 p-10 -141.86 179.99 1.1 Allowed Pre-proline 0 C--N 1.329 -0.301 0 CA-C-N 116.015 -0.539 . . . . 0.0 111.14 172.867 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 87' ' ' PRO . . . . . 0.489 ' CD ' ' CB ' ' A' ' 86' ' ' ASN . 75.4 Cg_exo -58.58 -25.16 73.47 Favored 'Trans proline' 0 N--CA 1.457 -0.675 0 C-N-CA 121.71 1.606 . . . . 0.0 111.244 -175.068 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 97.3 mm-40 -92.67 -5.02 52.29 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.184 -170.31 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 145.36 -161.85 28.19 Favored Glycine 0 CA--C 1.525 0.681 0 N-CA-C 111.26 -0.736 . . . . 0.0 111.26 -179.216 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 41.4 ptt180 -151.02 160.02 44.19 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 120.682 0.277 . . . . 0.0 111.228 178.759 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 11.9 p -147.09 137.6 17.49 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.421 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.104 176.376 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 29.0 t -124.08 139.98 53.41 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.409 -174.729 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 93' ' ' CYS . . . . . . . . . . . . . 40.4 t -135.71 134.79 39.48 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.269 177.216 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 92.9 m -84.28 117.22 23.42 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.244 -176.116 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -90.66 59.31 3.31 Favored Glycine 0 CA--C 1.523 0.539 0 N-CA-C 111.222 -0.751 . . . . 0.0 111.222 -177.571 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -60.27 110.05 1.14 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.869 0.366 . . . . 0.0 111.233 -179.098 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 1.9 mp -119.97 131.05 55.05 Favored 'General case' 0 C--O 1.236 0.346 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.171 174.435 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 98' ' ' MET . . . . . . . . . . . . . 13.8 tmm? -109.41 140.07 43.59 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.372 -0.377 . . . . 0.0 111.185 -174.792 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 99' ' ' VAL . . . . . 0.452 ' HA ' ' O ' ' A' ' 19' ' ' ILE . 95.8 t -116.58 131.91 67.79 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 CA-C-N 116.158 -0.473 . . . . 0.0 111.215 -178.26 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 65.4 tt0 . . . . . 0 C--N 1.33 -0.261 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.261 177.641 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.233 0.23 0 CA-C-O 120.666 0.27 . . . . 0.0 111.263 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 77.5 Cg_exo -53.92 132.15 48.21 Favored 'Trans proline' 0 N--CA 1.457 -0.643 0 C-N-CA 121.657 1.572 . . . . 0.0 111.126 -179.856 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 84.3 t80 -149.48 126.58 11.3 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.218 177.166 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 70.4 m-85 -70.21 87.01 0.58 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.159 179.775 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 16.6 pt-20 -64.05 -20.1 65.69 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.169 172.816 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 67.0 ttp -136.17 113.42 10.64 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.075 -0.512 . . . . 0.0 111.243 167.426 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 99.6 mttt -94.86 166.11 12.13 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.061 -0.518 . . . . 0.0 111.296 -170.661 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 99.5 mt -81.77 156.97 24.68 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.287 -0.415 . . . . 0.0 111.294 177.399 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 97.6 mttt -114.89 176.86 4.87 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.344 -0.389 . . . . 0.0 111.214 175.281 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 19.6 t-160 -74.94 109.19 8.2 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.092 -0.504 . . . . 0.0 111.12 173.275 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 74.1 m-85 -97.29 143.46 28.04 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.411 -0.359 . . . . 0.0 111.198 -173.168 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 99.1 mttt -135.36 140.09 44.75 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.02 -0.536 . . . . 0.0 111.273 177.622 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 10.6 tp -148.54 149.98 14.59 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.087 -177.426 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 65.2 m-85 -76.44 145.37 39.34 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.263 173.607 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 88.7 tt0 -53.73 123.93 13.72 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.062 -178.678 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 101.31 -15.33 57.72 Favored Glycine 0 CA--C 1.524 0.6 0 N-CA-C 111.333 -0.707 . . . . 0.0 111.333 172.205 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 97.8 mmm -85.03 154.63 60.75 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 120.73 0.3 . . . . 0.0 111.334 -175.832 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 71.8 Cg_endo -76.01 154.99 38.22 Favored 'Trans proline' 0 C--N 1.329 -0.484 0 C-N-CA 121.631 1.554 . . . . 0.0 111.134 179.985 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 57.7 t -133.68 125.29 49.4 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.23 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.119 178.391 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 88.7 m -127.34 122.89 34.97 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.11 -179.135 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 52.2 p90 -156.84 165.0 37.45 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.231 172.608 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 12.4 t -145.77 160.51 41.64 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.19 -171.854 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 9.8 t -136.8 147.59 46.68 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.346 -0.388 . . . . 0.0 111.189 179.523 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 43.1 ttm180 -124.32 134.82 53.07 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.856 0.36 . . . . 0.0 111.187 -174.838 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 82.0 t -125.59 129.01 72.8 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.362 0 CA-C-N 116.303 -0.408 . . . . 0.0 111.306 -173.737 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -92.54 64.99 4.33 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.071 -0.513 . . . . 0.0 111.258 178.69 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -105.87 161.17 14.5 Favored Glycine 0 CA--C 1.521 0.409 0 N-CA-C 111.242 -0.743 . . . . 0.0 111.242 -177.336 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 34' ' ' ASN . . . . . 0.456 ' HA ' ' C ' ' A' ' 35' ' ' PRO . 54.1 t-20 -155.0 109.27 2.3 Favored Pre-proline 0 CA--C 1.511 -0.553 0 CA-C-O 121.201 0.524 . . . . 0.0 110.944 178.046 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 35' ' ' PRO . . . . . 0.456 ' C ' ' HA ' ' A' ' 34' ' ' ASN . 24.6 Cg_exo -74.57 164.54 87.81 Favored 'Cis proline' 0 N--CA 1.457 -0.671 0 C-N-CA 121.653 -2.228 . . . . 0.0 111.264 9.183 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 36' ' ' LYS . . . . . 0.423 ' HA ' ' HD3' ' A' ' 37' ' ' PRO . 65.0 mmtt -54.65 117.01 12.26 Favored Pre-proline 0 C--N 1.331 -0.231 0 CA-C-N 116.044 -0.525 . . . . 0.0 111.041 -179.775 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 37' ' ' PRO . . . . . 0.423 ' HD3' ' HA ' ' A' ' 36' ' ' LYS . 50.7 Cg_exo -60.55 153.85 58.31 Favored 'Trans proline' 0 N--CA 1.458 -0.576 0 C-N-CA 121.609 1.539 . . . . 0.0 111.236 -178.329 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 98.8 mttt -87.87 70.0 9.5 Favored 'General case' 0 C--N 1.332 -0.166 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.283 175.778 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 94.2 mt -43.49 120.46 0.41 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.094 -172.813 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 74.4 m-85 -109.17 150.74 27.44 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.194 175.118 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 41' ' ' TRP . . . . . . . . . . . . . 92.4 m95 -115.93 142.52 46.68 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.244 172.967 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 41.2 p90 -150.9 145.81 25.88 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.167 170.086 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 12.3 tmtt? -110.01 110.08 20.88 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.215 -172.704 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 89.8 m-20 53.92 33.26 16.9 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.202 -176.504 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 97.0 -1.73 61.21 Favored Glycine 0 CA--C 1.526 0.763 0 N-CA-C 111.136 -0.786 . . . . 0.0 111.136 176.672 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 96.9 mttt -94.92 100.22 12.12 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 120.858 0.361 . . . . 0.0 111.215 -178.161 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 66.4 tt0 -50.99 128.0 20.28 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.28 -178.527 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 95.3 mt -97.25 124.97 50.42 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.364 0 CA-C-N 116.383 -0.371 . . . . 0.0 111.245 -178.949 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 30.5 t -84.73 130.21 53.87 Favored Pre-proline 0 C--N 1.327 -0.402 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.22 173.934 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 58.7 Cg_exo -54.16 137.72 70.64 Favored 'Trans proline' 0 N--CA 1.456 -0.679 0 C-N-CA 121.622 1.548 . . . . 0.0 111.154 178.244 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 97.8 mttt 59.35 57.01 3.53 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.299 178.647 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 15.3 t -95.01 -161.66 0.88 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.252 178.393 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 99.6 m-20 -55.25 -45.19 76.06 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 121.013 0.435 . . . . 0.0 111.171 -178.167 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 54' ' ' HIS . . . . . . . . . . . . . 99.5 m-70 -136.5 -5.24 2.02 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 115.983 -0.553 . . . . 0.0 111.2 -179.856 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 55' ' ' TYR . . . . . . . . . . . . . 22.1 m-30 -107.36 95.2 5.54 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.34 -0.391 . . . . 0.0 111.158 -172.921 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 98.2 m -97.43 125.01 41.83 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.064 -179.811 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 96.8 mt -114.81 132.45 63.98 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.149 179.119 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 69.9 tp60 -128.56 110.06 11.93 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.233 177.019 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 39.6 ttm105 -101.16 100.09 10.59 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.251 -175.368 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 67.0 t0 -71.63 124.04 23.83 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-O 120.894 0.378 . . . . 0.0 111.189 170.74 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 97.5 mt -73.75 -2.68 24.4 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.271 -171.363 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 97.7 m-20 -74.94 -10.21 59.27 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.123 173.751 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 115.71 27.45 3.03 Favored Glycine 0 CA--C 1.522 0.529 0 N-CA-C 111.086 -0.806 . . . . 0.0 111.086 174.158 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 57.0 m -135.08 135.21 41.07 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-O 120.631 0.253 . . . . 0.0 111.281 179.83 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 65' ' ' CYS . . . . . . . . . . . . . 49.5 t -134.1 127.94 33.15 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.118 179.896 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 29.7 t -106.44 142.79 35.53 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.249 -178.14 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 59.8 tp -117.09 123.85 47.79 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.222 173.983 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 80.5 t60 -117.65 122.05 42.52 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.286 179.512 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 96.1 m -99.12 119.9 38.61 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.133 171.753 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 80.1 m -64.71 -45.26 87.32 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.191 -175.628 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -144.94 88.05 1.87 Allowed 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.254 -176.51 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 47.5 t -77.23 108.92 10.68 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.126 -177.118 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 52.6 p -110.46 -178.19 3.43 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.153 179.908 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 97.0 mt -61.94 -27.85 69.13 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.906 -0.588 . . . . 0.0 111.396 -177.991 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 98.9 m-20 -76.83 -17.49 58.97 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.067 175.994 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 68.0 m-20 -95.02 -16.05 23.01 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.217 178.669 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 58.0 t0 -55.04 128.22 32.64 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.314 174.861 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 161.17 -164.05 34.68 Favored Glycine 0 CA--C 1.521 0.44 0 N-CA-C 111.282 -0.727 . . . . 0.0 111.282 -179.713 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 74.4 m-80 -105.05 107.78 18.94 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.866 0.365 . . . . 0.0 111.242 -174.035 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 80' ' ' TYR . . . . . . . . . . . . . 50.8 m-85 -84.82 71.24 10.89 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.237 178.321 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 86.0 m -65.02 133.54 51.89 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.229 -171.321 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 5.8 tt -104.03 141.73 19.07 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.328 -0.396 . . . . 0.0 110.993 177.599 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 83' ' ' MET . . . . . . . . . . . . . 60.0 ttm -134.28 117.02 15.96 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.015 -0.539 . . . . 0.0 111.291 179.145 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -94.55 91.6 6.67 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.9 0.381 . . . . 0.0 111.207 179.448 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -96.87 127.54 42.95 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.25 -175.113 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 86' ' ' ASN . . . . . 0.481 ' CB ' ' CD ' ' A' ' 87' ' ' PRO . 22.8 p-10 -142.75 179.26 1.23 Allowed Pre-proline 0 C--N 1.328 -0.349 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.063 172.572 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 87' ' ' PRO . . . . . 0.481 ' CD ' ' CB ' ' A' ' 86' ' ' ASN . 76.9 Cg_exo -59.04 -26.03 80.07 Favored 'Trans proline' 0 N--CA 1.457 -0.635 0 C-N-CA 121.739 1.626 . . . . 0.0 111.262 -175.031 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 96.8 mm-40 -92.92 -5.02 51.73 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.058 -0.519 . . . . 0.0 111.309 -170.412 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 142.05 -164.0 26.92 Favored Glycine 0 CA--C 1.522 0.473 0 N-CA-C 111.378 -0.689 . . . . 0.0 111.378 -179.853 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 40.2 ptt180 -149.83 160.0 43.91 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.652 0.263 . . . . 0.0 111.27 -179.308 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 14.0 p -150.33 138.97 14.89 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.423 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.191 176.168 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 89.0 p -120.15 153.97 35.44 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.3 -0.409 . . . . 0.0 111.247 -172.685 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 93' ' ' CYS . . . . . . . . . . . . . 50.5 t -151.44 136.65 17.53 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.34 176.637 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 88.9 m -69.34 128.95 38.39 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.311 -0.404 . . . . 0.0 111.351 -174.971 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -101.74 56.15 0.71 Allowed Glycine 0 CA--C 1.524 0.652 0 N-CA-C 111.256 -0.738 . . . . 0.0 111.256 176.832 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 79.3 ttt180 -53.22 115.15 1.74 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.744 0.306 . . . . 0.0 111.287 -176.407 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 60.8 tp -123.81 110.3 14.71 Favored 'General case' 0 C--O 1.235 0.32 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.105 172.428 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 98' ' ' MET . . . . . . . . . . . . . 98.7 mmm -97.98 141.75 30.56 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.15 -179.376 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 89.3 t -116.48 124.81 73.07 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.416 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.191 -176.749 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 51.1 tp60 . . . . . 0 C--N 1.329 -0.305 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.214 175.676 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.523 0.591 0 N-CA-C 111.225 -0.75 . . . . 0.0 111.225 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 76.23 -129.89 10.43 Favored Glycine 0 CA--C 1.524 0.611 0 N-CA-C 111.207 -0.757 . . . . 0.0 111.207 -178.722 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 84.9 p -154.8 179.01 9.5 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-O 120.732 0.301 . . . . 0.0 111.197 -178.803 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 61.9 t30 57.86 51.84 8.65 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.289 -0.414 . . . . 0.0 111.237 -179.323 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -160.35 169.25 23.5 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.03 -0.532 . . . . 0.0 111.149 -176.447 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 85.4 m -131.63 130.04 41.61 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.268 -175.987 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -60.35 151.83 66.84 Favored Pre-proline 0 C--N 1.326 -0.417 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.075 -179.794 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 35.9 Cg_endo -65.28 141.53 69.09 Favored 'Trans proline' 0 N--CA 1.457 -0.668 0 C-N-CA 121.627 1.551 . . . . 0.0 111.211 -179.184 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 90.0 t80 -154.98 124.97 6.63 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.342 -0.39 . . . . 0.0 111.184 -179.1 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 90.7 m-85 -74.86 90.23 2.38 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.195 176.643 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 21.9 pt-20 -70.66 -14.67 62.56 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.053 -0.522 . . . . 0.0 111.208 176.248 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' MET . . . . . 0.402 ' HB3' ' HB3' ' A' ' 30' ' ' ARG . 64.5 ttp -139.36 103.63 4.78 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.28 167.423 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 98.7 mttt -88.58 163.58 15.78 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.223 -172.872 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 96.4 mt -78.74 166.85 22.01 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.267 173.355 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 63.9 pttt -133.51 179.82 5.98 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.335 179.209 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 18.6 t-160 -72.58 108.36 5.58 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.29 -0.414 . . . . 0.0 111.025 177.697 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 76.6 m-85 -97.87 147.55 24.33 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.323 -0.399 . . . . 0.0 111.282 -178.416 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 99.1 mttt -133.98 139.7 46.25 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.268 176.875 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' ILE . . . . . 0.406 HG13 ' N ' ' A' ' 20' ' ' PHE . 10.0 tp -148.83 151.85 12.74 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.201 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.071 -177.585 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' PHE . . . . . 0.406 ' N ' HG13 ' A' ' 19' ' ' ILE . 64.7 m-85 -78.98 145.99 33.63 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.245 172.955 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 88.5 tt0 -53.97 124.98 17.07 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.2 -178.226 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 102.52 -16.53 54.88 Favored Glycine 0 CA--C 1.524 0.63 0 N-CA-C 111.213 -0.755 . . . . 0.0 111.213 172.252 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 97.9 mmm -84.89 153.54 60.5 Favored Pre-proline 0 C--N 1.33 -0.253 0 CA-C-O 120.894 0.378 . . . . 0.0 111.285 -175.641 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 72.4 Cg_endo -75.68 153.59 38.71 Favored 'Trans proline' 0 C--N 1.328 -0.537 0 C-N-CA 121.595 1.53 . . . . 0.0 111.138 179.111 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 47.2 t -135.02 128.0 49.02 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.198 0 CA-C-N 116.054 -0.521 . . . . 0.0 111.07 178.467 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 84.8 m -120.73 125.04 46.63 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.033 178.823 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 37.0 p90 -149.94 158.75 44.48 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.082 -0.508 . . . . 0.0 111.122 176.043 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 11.4 t -151.97 157.79 42.23 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.154 -172.22 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 24.6 t -142.58 141.96 32.08 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.313 -0.403 . . . . 0.0 111.135 -176.488 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . 0.402 ' HB3' ' HB3' ' A' ' 12' ' ' MET . 57.6 ttt85 -121.88 136.33 54.92 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.33 -0.396 . . . . 0.0 111.2 -173.446 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 28.3 m -119.05 159.97 19.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.291 179.449 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -119.95 32.84 5.86 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.278 177.316 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -76.43 161.2 51.47 Favored Glycine 0 CA--C 1.522 0.471 0 N-CA-C 111.094 -0.802 . . . . 0.0 111.094 -176.438 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 34' ' ' ASN . . . . . 0.457 ' HA ' ' C ' ' A' ' 35' ' ' PRO . 54.1 t-20 -151.3 110.0 3.0 Favored Pre-proline 0 CA--C 1.51 -0.579 0 CA-C-O 121.14 0.495 . . . . 0.0 111.02 179.46 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 35' ' ' PRO . . . . . 0.457 ' C ' ' HA ' ' A' ' 34' ' ' ASN . 24.6 Cg_exo -74.87 164.8 87.45 Favored 'Cis proline' 0 N--CA 1.456 -0.686 0 C-N-CA 121.729 -2.196 . . . . 0.0 111.154 9.555 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 64.4 mmtt -52.91 119.01 14.94 Favored Pre-proline 0 C--N 1.332 -0.187 0 CA-C-N 116.026 -0.534 . . . . 0.0 111.123 179.516 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 37' ' ' PRO . . . . . 0.432 ' HA ' ' HB3' ' A' ' 86' ' ' ASN . 53.6 Cg_exo -57.24 148.07 72.69 Favored 'Trans proline' 0 N--CA 1.458 -0.576 0 C-N-CA 121.676 1.584 . . . . 0.0 111.158 -178.096 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 99.6 mttt -79.98 69.88 6.44 Favored 'General case' 0 C--N 1.332 -0.179 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.403 175.582 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 41.1 mm -42.63 121.68 0.43 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.054 -0.521 . . . . 0.0 111.128 -170.405 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 79.9 m-85 -109.53 141.6 41.78 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.217 174.645 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 41' ' ' TRP . . . . . . . . . . . . . 91.7 m95 -113.19 138.04 50.56 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 121.072 0.463 . . . . 0.0 111.114 175.235 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 35.5 p90 -153.83 146.18 23.93 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.066 -0.515 . . . . 0.0 111.326 172.072 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 12.5 tmtt? -110.28 110.0 20.65 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.207 -174.861 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 95.8 m-20 54.91 32.96 18.95 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.24 -176.245 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 95.2 0.75 63.15 Favored Glycine 0 CA--C 1.525 0.693 0 N-CA-C 111.102 -0.799 . . . . 0.0 111.102 176.869 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 97.1 mttt -95.02 100.58 12.39 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.756 0.313 . . . . 0.0 111.206 -179.182 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 66.4 tt0 -50.86 128.93 22.28 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.317 -0.402 . . . . 0.0 111.179 -177.983 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 95.8 mt -99.6 125.03 53.29 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.178 -178.393 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 30.7 t -86.85 133.27 39.82 Favored Pre-proline 0 C--N 1.326 -0.456 0 CA-C-N 116.31 -0.404 . . . . 0.0 111.24 174.331 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 55.5 Cg_exo -54.8 137.36 74.72 Favored 'Trans proline' 0 N--CA 1.457 -0.65 0 C-N-CA 121.688 1.592 . . . . 0.0 111.244 178.805 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 98.0 mttt 58.5 57.0 4.02 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.238 178.085 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 14.9 t -95.01 -161.6 0.87 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.097 -0.501 . . . . 0.0 111.186 178.813 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 99.5 m-20 -55.03 -45.41 75.18 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.192 -177.798 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 54' ' ' HIS . . . . . . . . . . . . . 99.5 m-70 -136.87 -5.04 1.94 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.355 -179.972 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 55' ' ' TYR . . . . . . . . . . . . . 22.0 m-30 -107.55 97.5 7.23 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.059 -172.772 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 97.4 m -98.49 121.2 40.14 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.227 179.726 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 98.4 mt -106.67 131.31 56.82 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.239 178.455 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 70.8 tp60 -130.05 109.64 11.01 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.292 -0.413 . . . . 0.0 111.142 173.212 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 80.9 mtm180 -102.61 111.26 23.5 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.272 -177.367 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 65.2 t0 -85.43 131.36 34.4 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.294 -0.412 . . . . 0.0 111.19 174.54 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 95.3 mt -65.38 -16.04 63.2 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.315 -177.146 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 24.4 t70 -62.15 -28.48 69.68 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.088 177.382 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 129.8 -0.42 5.79 Favored Glycine 0 CA--C 1.523 0.565 0 N-CA-C 111.125 -0.79 . . . . 0.0 111.125 175.359 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 98.0 m -106.55 122.25 45.93 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.783 0.325 . . . . 0.0 111.259 178.545 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 65' ' ' CYS . . . . . . . . . . . . . 89.1 m -121.39 138.99 54.02 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.077 177.623 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 49.5 m -120.01 146.75 45.57 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.212 -173.566 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 55.5 tp -128.72 120.04 25.73 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.034 -0.53 . . . . 0.0 111.154 173.859 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 83.3 t60 -110.62 128.76 55.82 Favored 'General case' 0 N--CA 1.455 -0.188 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.351 -177.858 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 97.9 m -100.36 116.65 32.83 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.187 171.719 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 80.4 m -64.03 -44.55 92.18 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.328 -175.467 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -143.11 88.02 2.01 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.101 -0.5 . . . . 0.0 111.14 -176.895 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 48.4 t -75.64 108.72 8.67 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.185 -176.486 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 57.9 p -109.74 -177.7 3.34 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.175 178.999 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 96.3 mt -63.01 -25.96 68.63 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.069 -0.514 . . . . 0.0 111.254 -177.522 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 99.8 m-20 -79.05 -17.41 55.28 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.12 175.609 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 67.8 m-20 -94.85 -13.53 25.43 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.309 178.069 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 56.7 t0 -58.21 126.27 26.79 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.247 172.771 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 161.44 -163.87 34.74 Favored Glycine 0 CA--C 1.523 0.558 0 N-CA-C 111.248 -0.741 . . . . 0.0 111.248 -178.374 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 73.2 m-80 -106.58 110.85 23.16 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.852 0.358 . . . . 0.0 111.072 -175.201 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 80' ' ' TYR . . . . . . . . . . . . . 61.2 m-85 -84.4 69.97 10.59 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.255 177.397 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 88.6 m -65.02 134.39 53.76 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.224 -172.782 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 2.7 tt -109.95 139.11 34.61 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.308 -0.406 . . . . 0.0 111.144 177.595 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 83' ' ' MET . . . . . . . . . . . . . 65.2 ttp -121.47 120.02 33.71 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.22 -176.076 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -90.02 71.64 7.43 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.222 177.673 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -83.39 119.74 25.01 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.246 -0.433 . . . . 0.0 111.194 -176.561 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 86' ' ' ASN . . . . . 0.516 ' CB ' ' CD ' ' A' ' 87' ' ' PRO . 27.5 p-10 -145.04 -179.65 0.99 Allowed Pre-proline 0 C--N 1.328 -0.332 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.084 174.458 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 87' ' ' PRO . . . . . 0.516 ' CD ' ' CB ' ' A' ' 86' ' ' ASN . 54.9 Cg_exo -61.45 -18.46 59.56 Favored 'Trans proline' 0 N--CA 1.456 -0.71 0 C-N-CA 121.728 1.619 . . . . 0.0 111.353 -174.14 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 96.0 mm-40 -100.16 9.95 42.01 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.983 -0.553 . . . . 0.0 111.229 -174.594 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 121.79 -168.37 14.54 Favored Glycine 0 CA--C 1.523 0.586 0 N-CA-C 111.283 -0.727 . . . . 0.0 111.283 178.407 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 40.9 ptt180 -144.92 146.98 32.24 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 120.693 0.282 . . . . 0.0 111.178 -177.799 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 52.3 t -135.23 135.75 51.96 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.388 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.199 176.816 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 73.7 m -103.07 141.12 36.37 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.225 -179.571 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 93' ' ' CYS . . . . . . . . . . . . . 45.9 t -136.02 135.06 39.15 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.295 -0.411 . . . . 0.0 111.362 173.643 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 89.0 m -77.41 125.42 29.31 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.302 -0.408 . . . . 0.0 111.22 -170.887 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -100.54 58.55 0.72 Allowed Glycine 0 CA--C 1.523 0.589 0 N-CA-C 111.158 -0.777 . . . . 0.0 111.158 175.921 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 80.6 ttt180 -58.39 124.58 20.01 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 120.665 0.269 . . . . 0.0 111.364 -173.857 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 58.8 tp -132.16 114.19 14.2 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.077 173.056 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 98' ' ' MET . . . . . . . . . . . . . 98.3 mmm -100.01 140.01 34.85 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.206 179.555 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 85.1 t -115.71 124.04 71.73 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.295 -0.411 . . . . 0.0 111.228 -176.075 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 52.5 tp60 -82.53 120.47 25.54 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 121.062 0.458 . . . . 0.0 111.163 175.305 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -60.02 133.99 56.61 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.102 178.886 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 102' ' ' VAL . . . . . . . . . . . . . 74.4 t -118.37 111.52 34.33 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.237 0 CA-C-N 116.071 -0.513 . . . . 0.0 111.17 178.655 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 99.4 m-20 -72.48 -17.81 61.73 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.293 -0.412 . . . . 0.0 111.073 -174.746 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 104' ' ' GLN . . . . . . . . . . . . . 99.8 mm-40 -89.44 -5.1 57.68 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 116.3 -0.409 . . . . 0.0 111.373 -179.684 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 24.4 tpp180 -69.97 109.97 4.8 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.007 -0.542 . . . . 0.0 111.195 179.01 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . -73.49 -16.9 78.86 Favored Glycine 0 CA--C 1.524 0.624 0 N-CA-C 111.279 -0.728 . . . . 0.0 111.279 -177.429 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 99.8 mtt180 -93.54 -0.14 56.41 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.872 0.367 . . . . 0.0 111.207 -179.57 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 41.4 t . . . . . 1 C--O 0.998 -12.132 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.235 -177.661 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.523 0.579 0 N-CA-C 111.186 -0.766 . . . . 0.0 111.186 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 174.93 -115.04 0.53 Allowed Glycine 0 CA--C 1.522 0.508 0 N-CA-C 111.39 -0.684 . . . . 0.0 111.39 -179.914 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 92.6 p -80.66 -19.88 44.27 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-O 120.706 0.289 . . . . 0.0 111.264 179.606 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 62.5 t30 54.99 44.72 27.77 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.242 -178.109 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -155.05 154.95 33.24 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.089 -0.505 . . . . 0.0 111.257 -179.226 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 86.5 m -140.1 126.5 20.14 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.229 -178.201 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -65.22 144.88 99.12 Favored Pre-proline 0 C--N 1.325 -0.479 0 CA-C-N 116.07 -0.514 . . . . 0.0 111.153 179.021 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 75.3 Cg_exo -54.32 129.83 36.65 Favored 'Trans proline' 0 C--N 1.328 -0.536 0 C-N-CA 121.606 1.537 . . . . 0.0 111.137 -179.896 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 92.3 t80 -155.08 126.39 7.27 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.922 0.391 . . . . 0.0 111.181 172.931 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' PHE . . . . . 0.401 ' CD1' ' SG ' ' A' ' 29' ' ' CYS . 66.3 m-85 -66.8 87.9 0.14 Allowed 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.224 -179.113 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 17.2 pt-20 -61.28 -24.93 66.76 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.134 -0.484 . . . . 0.0 111.34 176.146 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' MET . . . . . 0.404 ' O ' ' SG ' ' A' ' 29' ' ' CYS . 67.9 ttp -126.22 109.7 12.62 Favored 'General case' 0 C--N 1.332 -0.172 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.147 170.44 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 98.3 mttt -97.9 168.16 10.47 Favored 'General case' 0 C--O 1.233 0.235 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.229 -170.397 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 76.5 mt -88.72 160.17 17.45 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.233 -177.783 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 99.2 mttt -118.42 167.04 11.94 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.249 178.344 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 20.4 t-160 -65.33 111.27 2.95 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.099 174.704 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 71.8 m-85 -97.28 141.63 30.15 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.294 -0.412 . . . . 0.0 111.335 -175.122 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 96.4 mttt -131.01 102.63 6.12 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.315 -0.402 . . . . 0.0 111.18 177.9 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 19' ' ' ILE . . . . . 0.446 ' O ' ' HA ' ' A' ' 99' ' ' VAL . 47.5 mm -120.75 140.37 45.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.067 -172.017 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 66.4 m-85 -71.73 149.21 45.62 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.225 -177.345 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 88.1 tt0 -54.99 122.76 11.6 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.188 -179.837 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 90.6 -5.65 82.35 Favored Glycine 0 CA--C 1.524 0.599 0 N-CA-C 111.194 -0.762 . . . . 0.0 111.194 174.665 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 26.7 ttt -84.54 134.75 41.87 Favored Pre-proline 0 C--N 1.327 -0.388 0 CA-C-O 120.74 0.305 . . . . 0.0 111.248 -177.34 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 74.2 Cg_endo -70.83 149.31 59.84 Favored 'Trans proline' 0 C--N 1.326 -0.626 0 C-N-CA 121.619 1.546 . . . . 0.0 111.237 175.208 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 9.7 p -151.66 135.27 7.96 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.118 179.332 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 91.0 m -119.57 130.11 54.98 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.164 175.317 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 31.2 p90 -150.12 154.56 38.29 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.281 177.585 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 11.6 t -146.97 158.96 44.07 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.309 -0.405 . . . . 0.0 111.233 -165.35 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 29' ' ' CYS . . . . . 0.429 ' HB3' HD11 ' A' ' 82' ' ' ILE . 2.9 t -141.06 148.73 40.65 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.308 178.429 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 44.3 ttm180 -124.42 136.92 54.43 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.334 -0.393 . . . . 0.0 111.169 -171.805 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 91.2 t -116.5 129.55 72.78 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.417 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.175 -176.748 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -86.49 65.36 9.0 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.46 173.967 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -107.16 154.01 16.71 Favored Glycine 0 CA--C 1.521 0.451 0 N-CA-C 111.175 -0.77 . . . . 0.0 111.175 -174.643 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 34' ' ' ASN . . . . . 0.49 ' HA ' ' HA ' ' A' ' 35' ' ' PRO . 54.1 t-20 -158.07 108.15 1.73 Allowed Pre-proline 0 CA--C 1.51 -0.564 0 CA-C-O 121.067 0.461 . . . . 0.0 110.985 176.87 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 35' ' ' PRO . . . . . 0.49 ' HA ' ' HA ' ' A' ' 34' ' ' ASN . 23.1 Cg_exo -74.63 168.07 78.23 Favored 'Cis proline' 0 C--N 1.327 -0.596 0 C-N-CA 121.588 -2.255 . . . . 0.0 111.13 7.77 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . 0.467 ' HD2' ' N ' ' A' ' 36' ' ' LYS . 4.1 mptp? -59.96 117.43 23.4 Favored Pre-proline 0 C--N 1.333 -0.135 0 CA-C-N 115.949 -0.569 . . . . 0.0 111.159 -179.774 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 49.6 Cg_endo -73.63 169.11 23.1 Favored 'Trans proline' 0 N--CA 1.459 -0.53 0 C-N-CA 121.577 1.518 . . . . 0.0 111.204 -173.099 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 99.1 mttt -78.37 85.33 4.5 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.411 178.647 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 39' ' ' ILE . . . . . 0.455 HG12 ' HB3' ' A' ' 84' ' ' ALA . 42.5 mt -82.6 128.27 38.88 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.065 -176.52 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 39.1 p90 -148.51 160.54 42.97 Favored 'General case' 0 C--O 1.233 0.215 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.2 -177.556 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 41' ' ' TRP . . . . . . . . . . . . . 86.3 m95 -102.09 148.3 25.56 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 121.003 0.43 . . . . 0.0 111.09 177.429 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 46.4 p90 -149.84 145.99 26.88 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.002 -0.545 . . . . 0.0 111.223 165.058 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 13.4 tmtt? -110.54 110.04 20.61 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.162 -173.755 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 88.4 m-20 52.3 34.1 14.08 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.306 -0.407 . . . . 0.0 111.155 -177.861 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 98.91 -1.0 57.76 Favored Glycine 0 CA--C 1.527 0.819 0 N-CA-C 111.026 -0.83 . . . . 0.0 111.026 175.878 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 96.9 mttt -100.84 97.42 8.04 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.649 0.261 . . . . 0.0 111.097 -177.607 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 65.9 tt0 -52.92 129.88 31.71 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.202 -178.591 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 88.7 mt -95.03 125.02 47.77 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.237 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.169 -176.79 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 30.3 t -78.07 126.5 83.59 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.099 177.373 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 50.1 Cg_exo -55.19 143.54 74.52 Favored 'Trans proline' 0 N--CA 1.457 -0.662 0 C-N-CA 121.589 1.526 . . . . 0.0 111.241 177.265 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 98.1 mttt 56.41 47.57 18.67 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.301 175.419 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 54.1 p -88.66 -169.82 2.69 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.258 176.474 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 99.3 m-20 -60.09 -39.38 85.91 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.189 -175.783 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 54' ' ' HIS . . . . . . . . . . . . . 100.0 m-70 -133.02 -7.38 3.07 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.07 -0.514 . . . . 0.0 111.282 -171.444 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 55' ' ' TYR . . . . . . . . . . . . . 91.2 m-85 -125.18 105.79 9.41 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 121.114 0.483 . . . . 0.0 111.053 -177.713 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 96.2 m -103.61 124.3 48.55 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.047 -0.524 . . . . 0.0 111.191 178.198 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 93.2 mt -110.94 121.97 64.58 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.244 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.198 -178.706 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 71.7 tp60 -105.03 115.94 31.11 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.203 174.757 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 50.1 mtp180 -104.4 89.57 3.27 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.191 -173.99 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 66.2 t0 -65.23 124.49 22.32 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.323 -0.399 . . . . 0.0 111.166 175.614 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 95.6 mt -69.96 -9.52 55.4 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.154 -173.308 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 97.0 m-20 -69.69 -17.95 63.52 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.361 -0.381 . . . . 0.0 111.104 174.765 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 117.17 28.56 2.37 Favored Glycine 0 CA--C 1.523 0.586 0 N-CA-C 111.087 -0.805 . . . . 0.0 111.087 178.639 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 60.7 m -126.44 137.02 53.36 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-O 120.831 0.348 . . . . 0.0 111.235 179.837 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 65' ' ' CYS . . . . . . . . . . . . . 33.7 t -130.92 126.73 36.87 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.101 -179.201 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 34.2 t -116.85 135.63 53.58 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.229 -176.621 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 60.2 tp -113.16 123.08 49.4 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.103 -0.499 . . . . 0.0 111.112 178.164 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 68.8 t60 -108.93 122.51 47.37 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.277 175.115 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 94.3 m -101.68 124.66 47.69 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.039 173.79 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 85.7 m -69.7 -44.2 70.87 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.006 -0.543 . . . . 0.0 111.178 -176.134 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -144.97 88.93 1.92 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.229 -176.755 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 30.1 t -74.34 80.12 1.86 Allowed 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.965 -178.766 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 66.1 p -83.72 172.29 12.38 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.172 179.331 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 34.2 tp -58.8 -34.89 72.0 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.097 -0.501 . . . . 0.0 111.354 -172.915 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 99.3 m-20 -68.26 -17.95 64.42 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.13 -0.487 . . . . 0.0 111.244 179.458 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 72.6 m-20 -91.64 -3.28 56.53 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.203 -179.82 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 55.3 t0 -63.87 131.3 47.34 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.241 178.662 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 162.2 -161.89 33.83 Favored Glycine 0 CA--C 1.523 0.537 0 N-CA-C 111.241 -0.744 . . . . 0.0 111.241 178.785 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 75.6 m-80 -105.11 105.09 14.98 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 120.848 0.356 . . . . 0.0 111.139 -173.687 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 80' ' ' TYR . . . . . . . . . . . . . 33.5 m-85 -84.2 69.18 10.38 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.132 177.435 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 87.0 m -66.07 132.62 48.96 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.125 -176.535 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 82' ' ' ILE . . . . . 0.429 HD11 ' HB3' ' A' ' 29' ' ' CYS . 13.4 tt -109.92 138.15 38.91 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.372 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.208 176.804 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 83' ' ' MET . . . . . . . . . . . . . 54.7 ttm -132.74 139.81 47.77 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.266 -0.424 . . . . 0.0 111.372 -172.152 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 84' ' ' ALA . . . . . 0.455 ' HB3' HG12 ' A' ' 39' ' ' ILE . . . -119.0 145.98 45.39 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.289 -0.414 . . . . 0.0 111.169 170.702 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -146.94 130.0 16.41 Favored 'General case' 0 C--O 1.234 0.249 0 CA-C-N 116.058 -0.519 . . . . 0.0 111.163 -176.808 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 86' ' ' ASN . . . . . 0.449 ' CB ' ' CD ' ' A' ' 87' ' ' PRO . 37.8 p30 -152.3 177.7 1.82 Allowed Pre-proline 0 C--N 1.328 -0.357 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.13 172.841 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 87' ' ' PRO . . . . . 0.449 ' CD ' ' CB ' ' A' ' 86' ' ' ASN . 75.2 Cg_exo -57.23 -24.98 62.27 Favored 'Trans proline' 0 N--CA 1.456 -0.7 0 C-N-CA 121.8 1.666 . . . . 0.0 111.3 -176.559 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 96.1 mm-40 -89.88 -6.14 56.11 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.023 -0.535 . . . . 0.0 111.225 -171.209 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 144.33 -162.83 27.89 Favored Glycine 0 CA--C 1.521 0.468 0 N-CA-C 111.302 -0.719 . . . . 0.0 111.302 177.547 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 41.3 ptt180 -151.05 162.6 40.54 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.497 0.189 . . . . 0.0 111.278 -179.217 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 12.2 p -157.94 147.76 9.43 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.431 0 CA-C-N 116.345 -0.389 . . . . 0.0 111.062 -179.696 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 99.4 p -135.48 152.35 51.26 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.305 -178.833 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 93' ' ' CYS . . . . . . . . . . . . . 52.9 t -150.07 128.45 12.15 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.204 176.532 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 96.7 m -80.37 118.78 22.31 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.306 -171.433 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -90.67 60.27 3.22 Favored Glycine 0 CA--C 1.524 0.637 0 N-CA-C 111.111 -0.795 . . . . 0.0 111.111 -179.412 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 78.9 ttt180 -49.41 115.1 1.2 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.615 0.245 . . . . 0.0 111.268 -177.224 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 53.9 tp -121.86 105.1 10.05 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.123 175.481 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 98' ' ' MET . . . . . . . . . . . . . 98.7 mmm -95.83 144.95 25.75 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.11 -0.496 . . . . 0.0 111.262 177.415 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 99' ' ' VAL . . . . . 0.446 ' HA ' ' O ' ' A' ' 19' ' ' ILE . 94.4 t -113.26 131.14 65.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.314 -174.612 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 98.8 mm-40 -90.01 108.95 20.03 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.188 174.636 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -59.73 134.76 57.33 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.275 -176.461 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 102' ' ' VAL . . . . . . . . . . . . . 65.3 t -116.75 111.15 33.95 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.292 -179.58 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 97.2 m-20 -85.13 -9.33 58.0 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.078 -177.469 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 104' ' ' GLN . . . . . . . . . . . . . 99.2 mm-40 -85.02 -13.33 50.88 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 116.354 -0.384 . . . . 0.0 111.474 179.583 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 61.0 ttm-85 -75.12 118.62 18.26 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.857 -0.61 . . . . 0.0 111.089 179.605 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . -72.61 -18.51 78.63 Favored Glycine 0 CA--C 1.526 0.77 0 N-CA-C 111.326 -0.71 . . . . 0.0 111.326 -177.619 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 99.8 mtt180 -90.04 -3.94 57.67 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.798 0.332 . . . . 0.0 111.101 179.861 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 42.6 t . . . . . 1 C--O 0.999 -12.088 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.316 -179.801 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.523 0.564 0 N-CA-C 111.22 -0.752 . . . . 0.0 111.22 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 65.05 -125.0 29.34 Favored Glycine 0 CA--C 1.523 0.583 0 N-CA-C 111.341 -0.704 . . . . 0.0 111.341 -179.884 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 47.5 t -137.07 -75.07 0.42 Allowed 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 120.63 0.252 . . . . 0.0 111.08 179.782 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 62.1 t30 55.05 44.91 27.33 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.332 -0.395 . . . . 0.0 111.199 -176.596 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -156.82 155.04 30.84 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.073 -0.512 . . . . 0.0 111.165 -179.001 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 86.1 m -137.57 129.88 29.39 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.235 -0.438 . . . . 0.0 111.168 -178.241 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -61.07 153.79 64.55 Favored Pre-proline 0 C--N 1.326 -0.438 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.063 -179.26 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 36.2 Cg_endo -64.3 146.05 89.44 Favored 'Trans proline' 0 N--CA 1.458 -0.566 0 C-N-CA 121.686 1.59 . . . . 0.0 111.208 179.596 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 87.0 t80 -162.99 139.97 7.58 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.102 -177.259 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 71.8 m-85 -89.91 98.2 11.63 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.218 175.91 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 14.6 pt-20 -69.42 -20.04 63.79 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.013 -0.54 . . . . 0.0 111.298 175.379 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 67.4 ttp -136.34 113.63 10.71 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.192 169.588 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 98.1 mttt -100.39 166.56 10.89 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.276 -169.504 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 89.2 mt -83.45 170.25 14.67 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.236 177.93 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 64.0 pttt -135.02 -179.65 5.75 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.173 175.931 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 18.0 t-160 -73.74 108.91 6.85 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.086 -0.506 . . . . 0.0 111.273 176.278 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 76.9 m-85 -97.32 145.14 26.4 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.845 0.355 . . . . 0.0 111.168 -176.657 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 99.1 mttt -134.59 138.87 44.93 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.112 -0.495 . . . . 0.0 111.274 176.611 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 19' ' ' ILE . . . . . 0.407 HG13 ' N ' ' A' ' 20' ' ' PHE . 9.8 tp -148.47 151.59 13.14 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.218 -177.811 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 20' ' ' PHE . . . . . 0.407 ' N ' HG13 ' A' ' 19' ' ' ILE . 66.8 m-85 -78.48 146.03 34.65 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.292 -0.413 . . . . 0.0 111.27 172.867 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 87.7 tt0 -53.72 124.61 15.67 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.169 -178.433 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 102.03 -15.78 56.32 Favored Glycine 0 CA--C 1.525 0.683 0 N-CA-C 111.197 -0.761 . . . . 0.0 111.197 171.791 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 98.0 mmm -84.82 153.82 60.93 Favored Pre-proline 0 C--N 1.33 -0.261 0 CA-C-O 120.856 0.36 . . . . 0.0 111.291 -175.672 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 72.6 Cg_endo -75.36 153.08 39.82 Favored 'Trans proline' 0 N--CA 1.458 -0.604 0 C-N-CA 121.643 1.562 . . . . 0.0 111.19 179.56 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 46.2 t -135.22 127.35 47.26 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.039 179.238 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 92.4 m -121.48 126.46 49.3 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.956 178.895 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 31.1 p90 -153.22 158.51 41.82 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 116.09 -0.504 . . . . 0.0 111.088 174.563 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 9.8 t -149.78 159.66 44.18 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.153 -170.524 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 29.9 t -145.95 148.81 33.17 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.211 -178.576 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 78.8 ttt180 -129.09 138.47 51.86 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.333 -0.394 . . . . 0.0 111.12 -172.86 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 28.1 m -115.27 159.63 15.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.088 -0.506 . . . . 0.0 111.224 -176.016 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -145.0 77.96 1.55 Allowed 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.183 178.809 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -124.77 -171.92 13.43 Favored Glycine 0 CA--C 1.521 0.422 0 N-CA-C 111.34 -0.704 . . . . 0.0 111.34 177.295 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 34' ' ' ASN . . . . . 0.514 ' HA ' ' HA ' ' A' ' 35' ' ' PRO . 54.0 t-20 -156.88 106.24 1.94 Allowed Pre-proline 0 CA--C 1.51 -0.579 0 CA-C-O 121.34 0.59 . . . . 0.0 110.964 179.076 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 35' ' ' PRO . . . . . 0.514 ' HA ' ' HA ' ' A' ' 34' ' ' ASN . 27.5 Cg_exo -68.78 157.17 89.46 Favored 'Cis proline' 0 N--CA 1.457 -0.623 0 C-N-CA 121.587 -2.255 . . . . 0.0 111.136 3.892 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . 0.446 ' HA ' ' HD3' ' A' ' 37' ' ' PRO . 98.6 mttt -58.61 132.03 85.66 Favored Pre-proline 0 C--N 1.331 -0.233 0 CA-C-N 116.032 -0.531 . . . . 0.0 111.081 -179.434 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 37' ' ' PRO . . . . . 0.45 ' HA ' ' HB3' ' A' ' 86' ' ' ASN . 77.2 Cg_exo -56.17 141.06 88.11 Favored 'Trans proline' 0 N--CA 1.459 -0.539 0 C-N-CA 121.527 1.485 . . . . 0.0 111.204 -175.315 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 99.3 mttt -85.13 87.46 7.38 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.263 172.977 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 81.0 mt -53.69 123.96 5.49 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.224 0 CA-C-N 116.134 -0.484 . . . . 0.0 111.232 -172.563 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 80.5 m-85 -116.94 144.9 44.01 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.288 170.971 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 41' ' ' TRP . . . . . . . . . . . . . 94.8 m95 -114.25 140.0 48.94 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 121.033 0.444 . . . . 0.0 111.113 176.887 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 39.6 p90 -152.68 146.09 24.86 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 115.975 -0.557 . . . . 0.0 111.271 169.59 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 13.0 tmtt? -110.08 110.05 20.81 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.243 -174.752 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 93.8 m-20 53.84 33.54 17.3 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.119 -176.124 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 96.22 -0.7 62.17 Favored Glycine 0 CA--C 1.524 0.656 0 N-CA-C 111.205 -0.758 . . . . 0.0 111.205 176.643 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 96.9 mttt -94.85 100.03 11.98 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.9 0.381 . . . . 0.0 111.208 -178.726 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 66.4 tt0 -50.98 129.13 23.08 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.291 -0.413 . . . . 0.0 111.177 -178.111 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 95.6 mt -99.11 124.01 52.11 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.181 -178.132 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 49' ' ' SER . . . . . 0.406 ' HA ' ' HD3' ' A' ' 50' ' ' PRO . 30.5 t -90.0 136.62 28.79 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-N 116.296 -0.411 . . . . 0.0 111.127 174.82 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 50' ' ' PRO . . . . . 0.406 ' HD3' ' HA ' ' A' ' 49' ' ' SER . 53.6 Cg_exo -54.9 136.82 73.94 Favored 'Trans proline' 0 N--CA 1.457 -0.623 0 C-N-CA 121.551 1.501 . . . . 0.0 111.244 178.59 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 97.8 mttt 59.04 57.66 3.45 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.318 -0.401 . . . . 0.0 111.296 177.741 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 13.4 t -94.99 -161.76 0.89 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.136 -0.483 . . . . 0.0 111.152 178.883 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 99.4 m-20 -54.87 -45.72 74.65 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-O 121.046 0.45 . . . . 0.0 111.274 -177.801 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 54' ' ' HIS . . . . . . . . . . . . . 99.0 m-70 -136.73 -5.26 1.97 Allowed 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.199 178.996 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 55' ' ' TYR . . . . . . . . . . . . . 22.0 m-30 -106.07 95.25 5.65 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.077 -173.254 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 97.9 m -98.3 124.8 43.13 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.267 -179.242 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 96.7 mt -110.15 124.75 67.16 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-O 120.921 0.391 . . . . 0.0 111.137 179.975 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 85.1 mt-30 -111.16 136.27 50.47 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.115 173.256 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 94.1 mtt-85 -118.46 105.74 11.98 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.141 -172.127 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 67.8 t0 -84.41 122.25 28.7 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.286 171.32 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 95.1 mt -66.52 -12.29 56.84 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.112 -171.353 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 95.5 m-20 -64.98 -21.6 66.87 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.939 0.4 . . . . 0.0 111.17 177.493 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 123.16 18.93 3.02 Favored Glycine 0 CA--C 1.523 0.547 0 N-CA-C 111.136 -0.785 . . . . 0.0 111.136 -179.855 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 61.4 m -119.55 139.95 51.32 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-O 120.748 0.309 . . . . 0.0 111.315 -179.714 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 65' ' ' CYS . . . . . . . . . . . . . 36.4 t -135.05 134.14 40.07 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.104 176.706 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 32.3 t -114.97 135.78 53.85 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.261 -176.967 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 64.2 tp -114.9 119.66 37.32 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.093 -0.503 . . . . 0.0 111.097 177.952 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 82.5 t60 -111.74 126.05 54.64 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.272 -178.424 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 97.4 m -98.04 115.09 27.51 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.016 -0.538 . . . . 0.0 111.149 171.114 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 82.7 m -61.94 -44.74 96.13 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.29 -175.337 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -143.42 88.35 2.0 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.221 -177.096 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 48.0 t -75.0 107.2 6.91 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.155 -176.074 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 60.4 p -106.67 -178.96 3.8 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.163 -0.472 . . . . 0.0 111.131 178.968 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 96.5 mt -62.65 -25.45 68.13 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.335 -178.469 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 99.4 m-20 -78.27 -19.76 52.99 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.096 175.131 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 68.5 m-20 -92.63 -13.76 29.1 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.191 178.007 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 57.2 t0 -57.97 126.81 29.06 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.158 171.983 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 160.26 -164.47 34.43 Favored Glycine 0 CA--C 1.524 0.64 0 N-CA-C 111.189 -0.764 . . . . 0.0 111.189 -178.679 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 74.1 m-80 -105.81 109.38 21.32 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.91 0.386 . . . . 0.0 111.163 -173.897 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 80' ' ' TYR . . . . . . . . . . . . . 52.8 m-85 -83.77 70.06 10.3 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.208 177.351 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 85.6 m -65.83 135.08 54.38 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.169 -172.549 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 4.1 tt -109.88 139.97 30.79 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.061 177.729 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 83' ' ' MET . . . . . . . . . . . . . 63.5 ttp -119.76 121.16 38.55 Favored 'General case' 0 C--O 1.234 0.256 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.252 -175.738 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -88.82 65.5 7.67 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.319 -0.4 . . . . 0.0 111.085 177.571 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -76.51 124.59 27.82 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.255 -175.469 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 86' ' ' ASN . . . . . 0.46 ' CB ' ' CD ' ' A' ' 87' ' ' PRO . 30.7 p30 -150.73 177.79 1.74 Allowed Pre-proline 0 C--N 1.329 -0.313 0 CA-C-N 116.088 -0.505 . . . . 0.0 111.118 173.076 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 87' ' ' PRO . . . . . 0.46 ' CD ' ' CB ' ' A' ' 86' ' ' ASN . 75.6 Cg_exo -58.29 -24.96 70.39 Favored 'Trans proline' 0 N--CA 1.458 -0.604 0 C-N-CA 121.76 1.64 . . . . 0.0 111.201 -174.909 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 98.7 mm-40 -93.52 -4.95 50.14 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.068 -0.515 . . . . 0.0 111.259 -170.824 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 142.01 -157.73 26.52 Favored Glycine 0 CA--C 1.524 0.625 0 N-CA-C 111.287 -0.725 . . . . 0.0 111.287 179.711 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 40.3 ptt180 -150.81 149.95 30.36 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.75 0.309 . . . . 0.0 111.115 177.673 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 60.2 t -128.81 134.45 64.36 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.341 -0.39 . . . . 0.0 111.146 175.739 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 29.4 t -106.67 131.27 54.0 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.235 -0.438 . . . . 0.0 111.386 -177.854 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 93' ' ' CYS . . . . . . . . . . . . . 52.6 t -132.93 130.73 39.98 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.304 -0.407 . . . . 0.0 111.301 174.773 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 85.3 m -77.46 129.33 35.6 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.324 -171.761 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -100.52 55.39 0.83 Allowed Glycine 0 CA--C 1.524 0.633 0 N-CA-C 111.182 -0.767 . . . . 0.0 111.182 177.044 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 79.9 ttt180 -53.24 116.55 2.47 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.657 0.265 . . . . 0.0 111.327 -176.781 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 58.3 tp -125.18 112.3 16.28 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.305 -0.407 . . . . 0.0 111.155 171.42 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 98' ' ' MET . . . . . . . . . . . . . 98.7 mmm -97.86 140.72 31.8 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.152 179.621 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 84.0 t -116.93 124.01 72.46 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.082 -176.673 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 52.2 tp60 -82.56 121.02 26.26 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.062 -0.517 . . . . 0.0 111.096 175.805 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -60.66 133.92 56.57 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.155 178.944 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 102' ' ' VAL . . . . . . . . . . . . . 83.0 t -117.84 112.95 40.77 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.218 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.157 178.865 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 99.4 m-20 -71.84 -18.96 62.04 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.094 -0.503 . . . . 0.0 111.182 -174.882 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 104' ' ' GLN . . . . . . . . . . . . . 99.8 mm-40 -88.88 -4.93 58.33 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.436 -179.751 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 24.4 tpp180 -69.96 110.06 4.84 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 115.962 -0.563 . . . . 0.0 111.276 179.493 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . -72.12 -14.75 76.46 Favored Glycine 0 CA--C 1.524 0.644 0 N-CA-C 111.38 -0.688 . . . . 0.0 111.38 -176.496 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 99.8 mtt180 -89.51 0.27 57.01 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.795 0.331 . . . . 0.0 111.111 -179.359 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 72.3 m . . . . . 1 C--O 0.999 -12.084 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.24 177.792 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.523 0.54 0 N-CA-C 111.244 -0.742 . . . . 0.0 111.244 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 74.43 -114.0 4.29 Favored Glycine 0 CA--C 1.524 0.609 0 N-CA-C 111.276 -0.73 . . . . 0.0 111.276 179.818 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 41.4 t -158.14 128.86 6.32 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.629 0.252 . . . . 0.0 111.217 179.364 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 62.2 t30 55.09 44.96 27.12 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.322 -0.399 . . . . 0.0 111.087 -177.872 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -154.99 155.05 33.5 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.117 -178.196 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 87.1 m -138.68 129.97 27.15 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.241 -178.771 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -62.84 151.99 83.78 Favored Pre-proline 0 C--N 1.325 -0.478 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.207 -179.189 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 34.7 Cg_endo -63.59 144.83 90.8 Favored 'Trans proline' 0 C--N 1.328 -0.551 0 C-N-CA 121.664 1.576 . . . . 0.0 111.166 179.335 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 86.6 t80 -161.42 139.99 9.67 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-O 121.086 0.47 . . . . 0.0 111.121 -176.477 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 83.3 m-85 -91.49 99.83 12.7 Favored 'General case' 0 C--N 1.332 -0.175 0 CA-C-N 116.041 -0.527 . . . . 0.0 111.111 175.971 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 21.7 pt-20 -77.42 -13.83 59.84 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.269 175.979 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' MET . . . . . 0.408 ' HB3' ' HB3' ' A' ' 30' ' ' ARG . 66.1 ttp -141.23 108.45 5.5 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.309 167.285 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 99.6 mttt -93.9 173.85 7.46 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.277 -172.662 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 92.3 mt -89.7 155.5 19.17 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.222 177.584 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 97.7 mttt -115.0 179.14 4.03 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.234 176.314 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 22.8 t-160 -73.93 111.82 9.46 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.183 173.401 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 94.5 m-85 -97.41 144.14 27.45 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.38 -0.373 . . . . 0.0 111.23 -175.713 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 98.4 mttt -125.63 115.42 20.11 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.285 178.691 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 3.8 mp -125.14 138.82 53.05 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.073 -0.512 . . . . 0.0 111.182 -170.639 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 8.8 m-30 -69.65 138.7 53.24 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.081 172.917 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 41.6 tt0 -55.12 119.01 4.84 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.074 -0.512 . . . . 0.0 111.116 179.067 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 95.08 -5.37 68.43 Favored Glycine 0 CA--C 1.523 0.579 0 N-CA-C 111.239 -0.744 . . . . 0.0 111.239 175.662 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 56.9 ttp -89.78 138.38 27.99 Favored Pre-proline 0 C--N 1.328 -0.343 0 CA-C-O 120.678 0.275 . . . . 0.0 111.335 -176.695 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 57.8 Cg_endo -66.48 150.42 84.18 Favored 'Trans proline' 0 C--N 1.327 -0.593 0 C-N-CA 121.588 1.525 . . . . 0.0 111.287 174.466 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 8.4 p -149.6 134.79 10.6 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.089 179.106 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 89.0 m -114.58 130.12 56.74 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.153 177.504 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 25.0 p90 -146.71 154.01 40.93 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.093 -0.503 . . . . 0.0 111.172 177.831 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 11.4 t -149.4 158.9 44.58 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.256 -166.538 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 36.6 t -147.39 148.9 31.79 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.326 -0.397 . . . . 0.0 111.265 -179.468 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . 0.408 ' HB3' ' HB3' ' A' ' 12' ' ' MET . 76.3 ttt180 -127.81 137.55 52.42 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 120.886 0.375 . . . . 0.0 111.143 -170.978 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 28.1 m -120.37 162.34 19.05 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.241 -176.136 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -145.01 80.96 1.63 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.339 177.729 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -120.97 -175.91 15.31 Favored Glycine 0 CA--C 1.521 0.457 0 N-CA-C 111.262 -0.735 . . . . 0.0 111.262 176.25 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 34' ' ' ASN . . . . . 0.507 ' HA ' ' HA ' ' A' ' 35' ' ' PRO . 54.1 t-20 -156.48 106.19 2.01 Favored Pre-proline 0 CA--C 1.511 -0.556 0 CA-C-O 121.142 0.496 . . . . 0.0 110.987 177.56 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 35' ' ' PRO . . . . . 0.507 ' HA ' ' HA ' ' A' ' 34' ' ' ASN . 27.7 Cg_exo -68.77 157.52 89.03 Favored 'Cis proline' 0 N--CA 1.458 -0.589 0 C-N-CA 121.5 -2.292 . . . . 0.0 111.255 4.158 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . 0.473 ' HA ' ' HD3' ' A' ' 37' ' ' PRO . 98.3 mttt -63.97 135.01 96.12 Favored Pre-proline 0 C--N 1.331 -0.215 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.047 -177.168 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 37' ' ' PRO . . . . . 0.473 ' HD3' ' HA ' ' A' ' 36' ' ' LYS . 74.1 Cg_exo -56.43 143.64 86.37 Favored 'Trans proline' 0 N--CA 1.458 -0.581 0 C-N-CA 121.704 1.603 . . . . 0.0 111.226 -176.145 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 99.2 mttt -86.91 75.02 9.63 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.378 171.73 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 75.8 mt -40.97 124.99 0.46 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.084 -172.179 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 83.4 m-85 -114.08 144.85 42.45 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.238 170.956 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 41' ' ' TRP . . . . . . . . . . . . . 92.1 m95 -114.36 136.87 52.51 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.093 176.631 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 37.0 p90 -154.11 147.09 24.5 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.199 171.493 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 12.7 tmtt? -109.98 110.03 20.82 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.101 -175.812 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 87.4 m-20 52.65 32.93 12.69 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.19 -176.327 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 98.18 -0.91 58.89 Favored Glycine 0 CA--C 1.523 0.586 0 N-CA-C 111.185 -0.766 . . . . 0.0 111.185 176.603 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 97.0 mttt -95.05 99.98 11.89 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.804 0.335 . . . . 0.0 111.062 -178.447 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 66.0 tt0 -54.57 131.33 42.73 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.338 -0.392 . . . . 0.0 111.202 -176.603 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 92.8 mt -110.8 118.19 56.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.352 -0.386 . . . . 0.0 111.177 177.757 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 49' ' ' SER . . . . . 0.408 ' HA ' ' HD3' ' A' ' 50' ' ' PRO . 88.7 p -89.84 154.23 47.71 Favored Pre-proline 0 C--N 1.328 -0.355 0 CA-C-N 116.336 -0.393 . . . . 0.0 111.273 178.063 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 50' ' ' PRO . . . . . 0.408 ' HD3' ' HA ' ' A' ' 49' ' ' SER . 46.4 Cg_exo -59.43 143.04 99.82 Favored 'Trans proline' 0 N--CA 1.459 -0.547 0 C-N-CA 121.622 1.548 . . . . 0.0 111.231 178.676 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 97.9 mttt 55.01 46.57 23.99 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.324 174.975 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 51.9 p -80.02 -170.16 2.34 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.309 -0.405 . . . . 0.0 111.224 177.317 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 98.7 m-20 -66.67 -33.27 75.28 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.13 -176.756 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 54' ' ' HIS . . . . . . . . . . . . . 98.7 m-70 -129.98 -6.85 4.44 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.008 -0.542 . . . . 0.0 111.33 -171.396 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 55' ' ' TYR . . . . . . . . . . . . . 82.3 m-85 -131.75 149.96 52.31 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.099 -176.61 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 84.8 m -134.88 130.73 36.4 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.112 175.272 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 92.2 mt -113.63 125.76 70.97 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.4 0 CA-C-N 116.285 -0.416 . . . . 0.0 111.01 -178.208 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 98.1 mm-40 -110.04 142.06 42.0 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.21 172.728 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 94.8 mtt-85 -121.21 102.42 8.29 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.179 -173.419 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 68.1 t0 -78.76 122.63 26.27 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.191 171.738 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 95.2 mt -67.06 -12.21 59.29 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.189 -171.592 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 95.5 m-20 -65.03 -21.56 66.86 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.291 -0.413 . . . . 0.0 111.061 176.864 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 122.46 20.77 2.87 Favored Glycine 0 CA--C 1.524 0.648 0 N-CA-C 111.066 -0.814 . . . . 0.0 111.066 -179.557 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 59.4 m -120.1 140.03 51.68 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 120.709 0.29 . . . . 0.0 111.247 -179.588 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 65' ' ' CYS . . . . . . . . . . . . . 28.8 t -134.57 134.97 41.92 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.067 177.548 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 41.0 t -118.79 129.63 55.35 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.279 -0.419 . . . . 0.0 111.106 -174.291 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 60.0 tp -107.72 121.6 45.04 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.085 -0.507 . . . . 0.0 111.136 176.609 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 74.6 t60 -110.0 129.99 55.6 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.245 179.654 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 87.0 m -102.7 126.66 49.89 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.171 173.488 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 88.9 m -69.9 -45.0 68.54 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.235 -176.148 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -144.95 90.19 2.03 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.289 -0.414 . . . . 0.0 111.178 -177.833 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 34.8 t -80.03 92.67 5.63 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.14 -176.649 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 67.5 p -90.73 177.54 6.3 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.103 178.472 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 86.6 mt -60.32 -30.24 69.37 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.103 -0.499 . . . . 0.0 111.324 179.278 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 99.0 m-20 -72.31 -17.5 61.85 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.083 -0.508 . . . . 0.0 111.217 176.672 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 68.9 m-20 -96.85 -0.18 48.25 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.288 -0.415 . . . . 0.0 111.197 178.148 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 59.1 t0 -69.01 131.46 45.09 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.356 176.397 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 160.77 -163.13 33.99 Favored Glycine 0 CA--C 1.523 0.561 0 N-CA-C 111.244 -0.742 . . . . 0.0 111.244 -179.565 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 75.3 m-20 -104.03 106.49 17.01 Favored 'General case' 0 C--O 1.234 0.285 0 CA-C-O 120.873 0.368 . . . . 0.0 111.148 -174.549 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 80' ' ' TYR . . . . . . . . . . . . . 44.9 m-85 -81.31 69.96 8.05 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.299 177.23 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 91.1 m -64.98 134.91 54.94 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.251 -171.002 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 82' ' ' ILE . . . . . 0.432 HG23 ' HB3' ' A' ' 93' ' ' CYS . 3.2 tt -109.93 140.02 30.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.118 176.808 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 83' ' ' MET . . . . . . . . . . . . . 64.7 ttp -120.0 119.96 34.92 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.222 -175.048 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -86.46 77.17 9.49 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-O 120.987 0.422 . . . . 0.0 111.182 173.867 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -88.6 121.93 31.5 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.238 -176.276 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 86' ' ' ASN . . . . . 0.457 ' HB3' ' HA ' ' A' ' 37' ' ' PRO . 30.3 p30 -146.89 177.42 1.77 Allowed Pre-proline 0 C--N 1.328 -0.335 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.13 173.116 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 87' ' ' PRO . . . . . 0.447 ' CD ' ' CB ' ' A' ' 86' ' ' ASN . 77.8 Cg_exo -58.21 -24.9 69.47 Favored 'Trans proline' 0 N--CA 1.455 -0.758 0 C-N-CA 121.709 1.606 . . . . 0.0 111.297 -175.586 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 98.0 mm-40 -90.8 -5.08 56.1 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.057 -171.71 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 139.91 -170.97 24.06 Favored Glycine 0 CA--C 1.522 0.517 0 N-CA-C 111.353 -0.699 . . . . 0.0 111.353 175.81 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 98.7 mtt180 -129.99 144.99 51.63 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 120.573 0.225 . . . . 0.0 111.221 -178.867 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 56.3 t -134.26 128.3 52.01 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.224 176.569 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 30.8 t -101.17 139.26 37.1 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.37 -178.678 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 93' ' ' CYS . . . . . 0.432 ' HB3' HG23 ' A' ' 82' ' ' ILE . 52.4 t -135.93 129.12 31.73 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.314 172.991 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 85.1 m -72.02 128.81 36.88 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.153 -172.599 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -102.17 58.69 0.6 Allowed Glycine 0 CA--C 1.525 0.663 0 N-CA-C 111.124 -0.79 . . . . 0.0 111.124 176.262 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 80.1 ttt180 -54.26 110.12 0.57 Allowed 'General case' 0 C--N 1.327 -0.413 0 CA-C-O 120.714 0.292 . . . . 0.0 111.191 -176.538 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 3.1 mp -114.29 106.51 14.42 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.318 170.818 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 98' ' ' MET . . . . . . . . . . . . . 63.9 ttp -96.82 130.88 44.02 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.077 -0.51 . . . . 0.0 111.054 179.131 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 77.6 t -113.21 138.28 43.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.313 -176.107 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 65.7 tt0 -125.54 133.65 52.25 Favored 'General case' 0 N--CA 1.454 -0.236 0 CA-C-O 121.033 0.444 . . . . 0.0 111.326 -179.061 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -69.6 131.12 44.15 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.191 174.362 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 102' ' ' VAL . . . . . . . . . . . . . 91.1 t -130.44 122.08 52.38 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.254 -175.945 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 99.3 m-20 -67.37 -25.45 65.98 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.09 -0.505 . . . . 0.0 111.088 -173.998 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 104' ' ' GLN . . . . . . . . . . . . . 99.8 mm-40 -85.43 -4.95 59.32 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.306 -179.856 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 29.8 tpt180 -94.02 119.93 33.58 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.045 -0.525 . . . . 0.0 111.22 178.168 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . -67.68 -26.08 73.85 Favored Glycine 0 CA--C 1.525 0.701 0 N-CA-C 111.424 -0.67 . . . . 0.0 111.424 -173.625 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 99.6 mtt180 -92.27 -0.31 57.41 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 120.678 0.275 . . . . 0.0 111.199 -177.961 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 35.1 t . . . . . 1 C--O 0.999 -12.09 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.218 179.809 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.523 0.531 0 N-CA-C 111.239 -0.744 . . . . 0.0 111.239 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 84.06 -152.6 28.52 Favored Glycine 0 CA--C 1.522 0.472 0 N-CA-C 111.409 -0.676 . . . . 0.0 111.409 -172.87 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 48.4 t -138.91 -75.04 0.38 Allowed 'General case' 0 C--N 1.327 -0.408 0 CA-C-O 120.72 0.295 . . . . 0.0 111.222 175.792 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 95.9 m-20 52.48 29.41 7.02 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.029 -176.561 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -174.97 173.53 2.66 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.102 -173.639 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 95.1 m -72.08 125.75 28.05 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.013 -0.54 . . . . 0.0 111.221 174.225 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -65.04 145.0 99.18 Favored Pre-proline 0 C--N 1.327 -0.383 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.265 -173.652 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 51.6 Cg_endo -67.21 120.81 7.89 Favored 'Trans proline' 0 N--CA 1.458 -0.602 0 C-N-CA 121.617 1.544 . . . . 0.0 111.206 178.302 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 91.7 t80 -162.13 137.68 7.39 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.102 179.61 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' PHE . . . . . 0.432 ' CD1' ' SG ' ' A' ' 29' ' ' CYS . 65.6 m-85 -80.65 114.13 19.33 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.156 -179.862 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 22.9 pt-20 -78.87 -14.72 59.08 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.034 171.255 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 67.5 ttp -137.09 115.99 12.3 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.083 167.879 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 97.1 mttt -102.34 164.9 11.42 Favored 'General case' 0 C--N 1.332 -0.155 0 CA-C-N 116.03 -0.532 . . . . 0.0 111.147 -171.417 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 96.1 mt -80.95 150.14 29.08 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.248 -179.95 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 97.5 mttt -115.06 -179.06 3.52 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.241 179.228 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 22.1 t-160 -75.09 113.18 12.12 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.275 173.905 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 63.1 m-85 -105.83 148.3 27.7 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.411 -0.359 . . . . 0.0 111.33 -175.947 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 99.2 mttt -134.34 139.74 45.87 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.197 177.696 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 10.9 tp -149.85 149.92 14.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.189 -178.813 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 56.0 m-85 -77.93 146.33 35.6 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.277 -0.419 . . . . 0.0 111.292 178.194 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 39.8 tt0 -55.08 120.63 7.25 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.11 -0.496 . . . . 0.0 111.062 -177.0 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 98.79 -14.51 61.67 Favored Glycine 0 CA--C 1.523 0.578 0 N-CA-C 111.113 -0.795 . . . . 0.0 111.113 173.09 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 98.0 mmm -85.22 153.25 59.34 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 120.852 0.358 . . . . 0.0 111.266 -176.825 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 86.4 Cg_endo -75.52 152.74 38.76 Favored 'Trans proline' 0 N--CA 1.459 -0.546 0 C-N-CA 121.764 1.643 . . . . 0.0 111.179 177.883 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 9.1 p -152.42 134.96 6.45 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.134 176.395 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 88.2 m -120.27 135.41 55.01 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.212 -178.949 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 23.7 p90 -151.5 152.27 32.76 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 116.337 -0.392 . . . . 0.0 111.198 174.921 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 9.5 t -146.95 157.49 43.65 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.087 -0.506 . . . . 0.0 111.228 -164.688 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 29' ' ' CYS . . . . . 0.432 ' SG ' ' CD1' ' A' ' 10' ' ' PHE . 1.8 t -143.28 153.11 42.44 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.242 -179.203 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 54.2 ttt85 -133.28 130.63 39.2 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.318 -0.401 . . . . 0.0 111.138 -169.526 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 85.2 t -108.46 134.88 49.01 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.101 -0.5 . . . . 0.0 111.234 -176.144 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -93.79 64.98 3.54 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.215 173.916 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -107.6 163.02 13.1 Favored Glycine 0 CA--C 1.521 0.452 0 N-CA-C 111.369 -0.692 . . . . 0.0 111.369 -178.781 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 34' ' ' ASN . . . . . 0.468 ' HA ' ' HA ' ' A' ' 35' ' ' PRO . 60.1 t-20 -168.25 101.71 0.55 Allowed Pre-proline 0 CA--C 1.51 -0.566 0 CA-C-O 121.093 0.473 . . . . 0.0 110.979 177.17 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 35' ' ' PRO . . . . . 0.468 ' HA ' ' HA ' ' A' ' 34' ' ' ASN . 58.6 Cg_endo -71.94 169.84 68.91 Favored 'Cis proline' 0 N--CA 1.457 -0.649 0 C-N-CA 121.36 -2.35 . . . . 0.0 111.403 1.404 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . 0.464 ' HA ' ' HD3' ' A' ' 37' ' ' PRO . 72.3 mmtt -67.93 135.1 91.93 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.156 -179.848 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 37' ' ' PRO . . . . . 0.464 ' HD3' ' HA ' ' A' ' 36' ' ' LYS . 31.9 Cg_exo -64.47 177.9 1.92 Allowed 'Trans proline' 0 N--CA 1.459 -0.516 0 C-N-CA 121.544 1.496 . . . . 0.0 111.238 177.947 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 98.8 mttt -84.72 80.01 9.41 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.459 174.724 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 60.1 mt -77.77 132.92 31.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.038 -171.924 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 37.9 p90 -149.43 164.88 33.75 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.306 178.946 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 41' ' ' TRP . . . . . . . . . . . . . 74.8 m95 -109.11 151.59 26.21 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 121.083 0.468 . . . . 0.0 111.123 178.973 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 38.9 p90 -152.88 145.75 24.44 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.059 -0.519 . . . . 0.0 111.235 166.323 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 13.3 tmtt? -110.04 109.93 20.67 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.049 -0.523 . . . . 0.0 111.265 -175.642 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 89.8 m-20 53.0 33.37 14.62 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.11 -176.294 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 98.98 -3.32 58.51 Favored Glycine 0 CA--C 1.524 0.64 0 N-CA-C 111.152 -0.779 . . . . 0.0 111.152 176.296 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 97.0 mttt -95.35 99.9 11.76 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-O 120.697 0.284 . . . . 0.0 111.131 -177.591 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 66.0 tt0 -51.94 130.04 28.45 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.381 -0.372 . . . . 0.0 111.214 -177.683 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 97.9 mt -98.36 124.95 51.76 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.148 -176.911 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 30.5 t -85.49 132.1 45.8 Favored Pre-proline 0 C--N 1.328 -0.342 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.239 174.127 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 57.0 Cg_exo -54.5 137.41 72.69 Favored 'Trans proline' 0 N--CA 1.458 -0.592 0 C-N-CA 121.731 1.62 . . . . 0.0 111.164 178.366 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 97.6 mttt 59.69 58.09 2.98 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.302 178.108 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 13.1 t -94.96 -160.86 0.81 Allowed 'General case' 0 C--O 1.234 0.265 0 CA-C-N 116.06 -0.518 . . . . 0.0 111.166 178.63 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 99.6 m-20 -55.08 -45.33 75.39 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.346 -0.388 . . . . 0.0 111.175 -178.055 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 54' ' ' HIS . . . . . . . . . . . . . 99.5 m-70 -136.32 -6.5 2.03 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.09 -0.505 . . . . 0.0 111.351 178.645 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 55' ' ' TYR . . . . . . . . . . . . . 21.9 m-30 -103.03 92.62 4.62 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.269 -173.397 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 97.3 m -97.71 120.3 37.85 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.123 -0.489 . . . . 0.0 111.155 -179.297 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 96.8 mt -105.79 123.44 60.28 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.137 -179.067 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 64.8 tt0 -104.97 119.1 38.18 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.146 173.857 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 62.7 ttm-85 -102.81 90.26 3.74 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.185 -175.167 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 67.0 t0 -71.29 119.93 16.13 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 120.928 0.395 . . . . 0.0 111.181 172.904 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 95.6 mt -68.82 -10.83 59.01 Favored 'General case' 0 C--O 1.236 0.347 0 CA-C-N 116.051 -0.522 . . . . 0.0 111.233 -171.456 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 17.9 t70 -67.73 -19.84 65.18 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.382 -0.372 . . . . 0.0 111.188 176.039 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 123.67 17.21 3.2 Favored Glycine 0 CA--C 1.524 0.613 0 N-CA-C 111.023 -0.831 . . . . 0.0 111.023 176.398 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 95.6 m -114.93 126.12 54.42 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-O 120.802 0.335 . . . . 0.0 111.253 -179.087 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 65' ' ' CYS . . . . . . . . . . . . . 76.7 m -115.77 124.92 51.98 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.125 176.228 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 34.7 t -115.38 132.66 56.55 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.079 -0.51 . . . . 0.0 111.169 -177.047 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 68.4 tp -112.43 119.87 39.71 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.081 -0.508 . . . . 0.0 111.139 177.056 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 63.5 t60 -108.25 125.11 51.29 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.364 -0.38 . . . . 0.0 111.294 176.788 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 92.2 m -101.08 115.59 30.84 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.054 172.513 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 83.6 m -64.99 -43.45 92.54 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.257 -175.201 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -142.12 87.61 2.04 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.051 -0.522 . . . . 0.0 111.045 -176.874 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 46.6 t -80.08 105.78 11.61 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.186 -177.686 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 47.7 p -105.9 -179.86 4.06 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.221 -179.903 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 96.4 mt -60.81 -28.24 68.64 Favored 'General case' 0 C--N 1.333 -0.143 0 CA-C-N 116.101 -0.5 . . . . 0.0 111.273 -178.559 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 98.7 m-20 -76.76 -17.9 58.78 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.052 176.063 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 67.4 m-20 -94.82 -16.16 23.17 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.27 178.192 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 57.7 t0 -54.88 128.8 34.85 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.305 -0.407 . . . . 0.0 111.204 174.412 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 160.77 -163.26 34.05 Favored Glycine 0 CA--C 1.523 0.55 0 N-CA-C 111.212 -0.755 . . . . 0.0 111.212 -179.462 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 74.6 m-80 -105.56 108.05 19.35 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.921 0.391 . . . . 0.0 111.209 -174.481 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 80' ' ' TYR . . . . . . . . . . . . . 54.7 m-85 -84.94 69.99 10.85 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.35 177.809 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 87.0 m -68.89 134.61 49.85 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.019 -172.842 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 12.7 tt -109.98 136.92 44.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.196 176.373 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 83' ' ' MET . . . . . . . . . . . . . 59.2 ttm -127.71 128.34 45.25 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.289 -0.414 . . . . 0.0 111.327 -178.143 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -98.69 65.05 1.53 Allowed 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.319 -0.4 . . . . 0.0 111.12 173.858 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -75.22 143.14 43.28 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.269 -174.431 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 86' ' ' ASN . . . . . 0.406 ' CB ' ' CD ' ' A' ' 87' ' ' PRO . 37.5 p30 -155.5 174.72 3.66 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-N 116.293 -0.412 . . . . 0.0 111.101 171.45 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 87' ' ' PRO . . . . . 0.406 ' CD ' ' CB ' ' A' ' 86' ' ' ASN . 68.8 Cg_exo -59.79 -24.63 76.54 Favored 'Trans proline' 0 N--CA 1.456 -0.685 0 C-N-CA 121.7 1.6 . . . . 0.0 111.328 -174.682 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 88.3 mm-40 -97.07 -1.72 44.74 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.285 -171.087 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 144.47 -175.45 24.21 Favored Glycine 0 CA--C 1.524 0.624 0 N-CA-C 111.252 -0.739 . . . . 0.0 111.252 -178.201 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 41.0 ptt180 -148.51 159.97 43.54 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.593 0.235 . . . . 0.0 111.201 -177.014 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 9.3 p -147.35 139.93 19.02 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.525 0 CA-C-N 116.288 -0.415 . . . . 0.0 111.295 173.78 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 36.8 t -130.08 137.46 50.21 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.334 -0.394 . . . . 0.0 111.323 -169.205 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 93' ' ' CYS . . . . . . . . . . . . . 96.5 m -130.05 139.2 51.02 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.277 -0.42 . . . . 0.0 111.341 171.827 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 94.6 m -87.45 118.51 26.95 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.229 -171.566 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -88.85 59.88 3.92 Favored Glycine 0 CA--C 1.523 0.571 0 N-CA-C 111.249 -0.74 . . . . 0.0 111.249 179.99 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 79.2 ttt180 -53.43 113.94 1.33 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.71 0.29 . . . . 0.0 111.304 -179.887 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 65.5 tp -123.4 109.22 13.6 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.242 174.615 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 98' ' ' MET . . . . . . . . . . . . . 99.2 mmm -95.67 140.82 29.94 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.158 178.137 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 85.9 t -115.63 128.99 72.68 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.221 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.166 -176.348 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 99.4 mm-40 -89.92 119.46 30.31 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.218 178.177 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -60.91 136.29 58.04 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.204 -177.695 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 102' ' ' VAL . . . . . . . . . . . . . 89.4 t -118.57 114.13 44.0 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.214 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.159 179.719 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 99.5 m-20 -70.42 -22.36 62.73 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.176 -175.323 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 104' ' ' GLN . . . . . . . . . . . . . 99.8 mm-40 -85.06 -6.62 59.31 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.285 -0.416 . . . . 0.0 111.388 -179.711 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 24.2 tpp180 -73.05 113.83 10.53 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 115.99 -0.55 . . . . 0.0 111.305 178.888 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . -66.17 -24.72 72.04 Favored Glycine 0 CA--C 1.524 0.609 0 N-CA-C 111.278 -0.729 . . . . 0.0 111.278 -176.024 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 99.9 mtt180 -104.88 18.72 21.82 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.747 0.308 . . . . 0.0 111.083 -179.595 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 38.4 t . . . . . 1 C--O 0.999 -12.105 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.324 -179.144 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.523 0.533 0 N-CA-C 111.191 -0.764 . . . . 0.0 111.191 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 85.2 -170.33 44.87 Favored Glycine 0 CA--C 1.524 0.624 0 N-CA-C 111.222 -0.751 . . . . 0.0 111.222 179.978 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 47.6 t -142.58 128.8 19.85 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 120.717 0.294 . . . . 0.0 111.295 179.008 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 96.3 m-20 64.95 31.12 11.58 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.352 -0.386 . . . . 0.0 111.142 -176.939 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -168.5 162.59 12.26 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.104 -178.115 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 97.0 m -101.55 124.78 47.78 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.09 -0.505 . . . . 0.0 111.378 178.367 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -56.26 135.91 75.31 Favored Pre-proline 0 C--N 1.326 -0.432 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.147 179.39 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 54.6 Cg_endo -71.43 148.07 53.69 Favored 'Trans proline' 0 N--CA 1.457 -0.623 0 C-N-CA 121.784 1.656 . . . . 0.0 111.119 -177.172 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 55.1 p90 -153.32 155.01 35.69 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.305 -0.407 . . . . 0.0 111.262 174.085 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 90.3 m-85 -83.56 94.18 8.01 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.282 -0.417 . . . . 0.0 111.046 -172.458 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 87.8 tt0 -57.02 -37.11 71.24 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.3 169.885 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 62.7 ttp -130.78 122.75 27.74 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.052 -0.522 . . . . 0.0 111.219 173.241 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 99.0 mttt -102.11 164.95 11.42 Favored 'General case' 0 C--O 1.233 0.208 0 CA-C-N 116.097 -0.501 . . . . 0.0 111.243 -173.363 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 95.9 mt -84.11 154.97 22.85 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.315 -0.402 . . . . 0.0 111.174 178.649 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 98.0 mttt -114.98 169.96 8.7 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.299 176.205 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 19.2 t-160 -67.02 111.08 3.64 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.154 174.139 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 60.9 m-85 -100.88 146.31 27.5 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.38 -0.373 . . . . 0.0 111.298 -175.081 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 99.0 mttt -135.74 139.66 43.76 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.275 176.727 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 19' ' ' ILE . . . . . 0.401 HG13 ' N ' ' A' ' 20' ' ' PHE . 9.7 tp -147.96 152.09 12.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.022 -178.336 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 20' ' ' PHE . . . . . 0.401 ' N ' HG13 ' A' ' 19' ' ' ILE . 67.2 m-85 -79.93 145.33 32.68 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.069 -0.514 . . . . 0.0 111.306 172.66 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 88.5 tt0 -53.43 124.6 15.28 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.001 -178.604 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 104.1 -17.05 49.14 Favored Glycine 0 CA--C 1.524 0.598 0 N-CA-C 111.076 -0.81 . . . . 0.0 111.076 171.78 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 98.1 mmm -84.97 153.7 60.35 Favored Pre-proline 0 C--N 1.328 -0.342 0 CA-C-O 120.874 0.369 . . . . 0.0 111.179 -175.359 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 71.7 Cg_endo -75.06 153.53 41.56 Favored 'Trans proline' 0 C--N 1.328 -0.517 0 C-N-CA 121.617 1.545 . . . . 0.0 111.241 178.408 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 46.5 t -135.03 127.05 47.63 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.198 179.518 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 85.8 m -122.26 125.32 45.78 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.028 -0.533 . . . . 0.0 111.107 179.767 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 37.8 p90 -153.72 160.16 42.22 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.05 174.2 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 9.3 t -149.62 155.58 40.49 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.177 -172.371 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 11.2 t -141.09 148.2 39.77 Favored 'General case' 0 C--O 1.235 0.318 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.197 -178.619 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 60.6 ttt85 -121.87 121.77 37.91 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.478 -0.328 . . . . 0.0 111.188 -172.875 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 97.2 t -110.66 119.34 59.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.316 176.624 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -92.8 64.94 4.12 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.226 -177.776 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -92.74 175.25 36.88 Favored Glycine 0 CA--C 1.521 0.418 0 N-CA-C 111.3 -0.72 . . . . 0.0 111.3 176.058 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 34' ' ' ASN . . . . . 0.486 ' HA ' ' HA ' ' A' ' 35' ' ' PRO . 54.2 t-20 -158.88 106.19 1.59 Allowed Pre-proline 0 CA--C 1.511 -0.546 0 CA-C-O 121.329 0.585 . . . . 0.0 110.924 176.706 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 35' ' ' PRO . . . . . 0.486 ' HA ' ' HA ' ' A' ' 34' ' ' ASN . 60.1 Cg_endo -73.01 157.77 98.82 Favored 'Cis proline' 0 N--CA 1.458 -0.574 0 C-N-CA 121.371 -2.345 . . . . 0.0 111.246 2.046 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 3.8 mptp? -60.08 112.77 5.91 Favored Pre-proline 0 C--N 1.331 -0.208 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.117 176.966 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 39.8 Cg_exo -59.8 154.6 48.62 Favored 'Trans proline' 0 N--CA 1.458 -0.604 0 C-N-CA 121.625 1.55 . . . . 0.0 111.198 178.966 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 88.6 tttt -70.33 79.17 0.54 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.261 175.014 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 87.4 mt -41.94 123.79 0.49 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.225 -176.412 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 85.5 m-85 -106.26 148.25 28.19 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.296 -0.411 . . . . 0.0 111.224 178.582 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 41' ' ' TRP . . . . . . . . . . . . . 90.4 m95 -119.98 141.87 49.29 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.184 173.03 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 40.2 p90 -152.58 146.12 24.95 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.075 -0.511 . . . . 0.0 111.406 172.084 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 12.3 tmtt? -110.04 110.06 20.84 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.271 -175.028 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 94.6 m-20 53.81 33.62 17.37 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.075 -176.17 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 95.83 -0.07 62.53 Favored Glycine 0 CA--C 1.525 0.676 0 N-CA-C 111.034 -0.827 . . . . 0.0 111.034 176.533 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 97.0 mttt -94.92 100.66 12.48 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.811 0.339 . . . . 0.0 111.155 -178.942 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 66.4 tt0 -51.11 129.47 24.18 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 116.393 -0.367 . . . . 0.0 111.202 -177.491 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 95.0 mt -99.97 124.99 53.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.305 -0.407 . . . . 0.0 111.266 -179.317 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 30.6 t -87.92 133.97 36.29 Favored Pre-proline 0 C--N 1.327 -0.407 0 CA-C-N 116.328 -0.396 . . . . 0.0 111.262 174.864 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_exo -54.83 137.77 75.73 Favored 'Trans proline' 0 N--CA 1.456 -0.678 0 C-N-CA 121.71 1.607 . . . . 0.0 111.264 178.109 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 98.0 mttt 58.21 56.98 4.2 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.252 178.232 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 14.8 t -94.95 -161.6 0.87 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.291 178.681 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 99.6 m-20 -55.0 -45.67 75.08 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.348 -177.899 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 54' ' ' HIS . . . . . . . . . . . . . 99.5 m-70 -136.41 -5.21 2.05 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.879 -0.6 . . . . 0.0 111.304 179.368 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 55' ' ' TYR . . . . . . . . . . . . . 22.2 m-30 -107.19 96.63 6.55 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.081 -172.286 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 97.7 m -99.02 124.49 44.04 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.162 -179.582 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 98.5 mt -110.54 124.39 67.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.277 -0.419 . . . . 0.0 111.259 179.586 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 97.0 mm-40 -115.04 105.12 12.59 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.289 -0.414 . . . . 0.0 111.147 174.247 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 39.3 ttm105 -102.0 100.03 10.26 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.287 -0.415 . . . . 0.0 111.153 -173.765 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 65.6 t0 -78.1 131.32 37.22 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.229 -0.442 . . . . 0.0 111.125 173.52 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 95.2 mt -67.53 -14.19 62.72 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.232 -174.347 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 19.0 t70 -63.93 -27.32 69.06 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.286 -0.415 . . . . 0.0 111.2 177.482 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 132.71 -10.8 5.2 Favored Glycine 0 CA--C 1.523 0.557 0 N-CA-C 111.164 -0.774 . . . . 0.0 111.164 175.982 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 96.9 m -94.58 128.37 41.15 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 120.829 0.347 . . . . 0.0 111.293 178.379 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 65' ' ' CYS . . . . . . . . . . . . . 46.9 t -131.41 129.14 40.88 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.152 176.488 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 29.0 t -105.36 143.18 33.88 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.215 -176.451 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 61.1 tp -120.74 117.78 28.35 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.256 173.642 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 83.0 t60 -110.45 127.66 55.23 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.353 -178.619 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 95.2 m -100.37 117.14 33.95 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.022 171.885 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 81.7 m -63.72 -44.03 94.78 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.21 -176.061 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -144.08 88.22 1.95 Allowed 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.288 -0.415 . . . . 0.0 111.057 -176.871 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 47.0 t -78.12 106.37 9.96 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.097 -177.493 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 46.5 p -102.72 176.59 5.11 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 120.973 0.416 . . . . 0.0 111.021 179.304 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 37.5 tp -56.12 -35.69 67.38 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 116.037 -0.529 . . . . 0.0 111.278 -178.625 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 99.2 m-20 -72.38 -17.25 61.84 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.053 -0.521 . . . . 0.0 111.233 179.764 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 68.8 m-20 -89.93 -5.79 56.39 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.285 178.121 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 54.9 t0 -62.94 127.02 29.32 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.249 176.42 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 162.22 -164.03 35.27 Favored Glycine 0 CA--C 1.523 0.58 0 N-CA-C 111.157 -0.777 . . . . 0.0 111.157 -179.529 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 73.3 m-80 -105.82 109.57 21.58 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.869 0.366 . . . . 0.0 111.143 -173.803 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 80' ' ' TYR . . . . . . . . . . . . . 48.9 m-85 -84.56 70.07 10.68 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.292 178.016 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 88.7 m -65.94 134.19 52.46 Favored 'General case' 0 C--O 1.234 0.275 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.207 -171.504 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 82' ' ' ILE . . . . . 0.403 ' O ' ' HA ' ' A' ' 92' ' ' SER . 2.8 tt -103.49 142.11 17.93 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.295 -0.411 . . . . 0.0 111.115 173.564 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 83' ' ' MET . . . . . . . . . . . . . 65.9 ttp -142.67 124.64 15.23 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.256 -177.64 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -93.37 64.95 3.76 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.199 178.095 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -73.09 134.66 44.61 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.21 -175.532 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 5.4 p30 -154.95 173.55 4.72 Favored Pre-proline 0 C--N 1.327 -0.407 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.228 176.001 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 71.3 Cg_exo -57.79 -30.71 90.19 Favored 'Trans proline' 0 N--CA 1.457 -0.633 0 C-N-CA 121.85 1.7 . . . . 0.0 111.136 -174.396 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 95.3 mm-40 -95.27 2.22 54.76 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.128 -170.209 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 142.03 -174.71 23.07 Favored Glycine 0 CA--C 1.521 0.41 0 N-CA-C 111.405 -0.678 . . . . 0.0 111.405 177.103 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 41.4 ptt180 -149.23 156.04 41.52 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 120.565 0.222 . . . . 0.0 111.16 -178.414 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 9.5 p -151.8 139.55 13.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.215 174.121 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 92' ' ' SER . . . . . 0.403 ' HA ' ' O ' ' A' ' 82' ' ' ILE . 94.7 p -129.3 158.69 38.38 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.315 -0.402 . . . . 0.0 111.364 -167.51 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 93' ' ' CYS . . . . . . . . . . . . . 52.1 t -149.99 135.06 17.91 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.186 176.588 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 88.8 m -70.71 130.06 40.76 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.211 -172.523 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -103.16 55.5 0.65 Allowed Glycine 0 CA--C 1.523 0.547 0 N-CA-C 111.279 -0.729 . . . . 0.0 111.279 177.087 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 80.0 ttt180 -52.8 115.56 1.88 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.797 0.332 . . . . 0.0 111.285 -176.414 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 57.5 tp -124.62 110.28 14.22 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.161 171.401 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 98' ' ' MET . . . . . . . . . . . . . 98.8 mmm -96.27 141.33 29.74 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.151 179.329 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 57.3 t -118.61 125.04 74.07 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.262 -176.756 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 55.1 tp60 -82.68 118.59 23.45 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.227 173.798 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -62.53 134.63 56.66 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.311 -0.404 . . . . 0.0 111.181 178.738 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 102' ' ' VAL . . . . . . . . . . . . . 78.1 t -116.52 113.68 43.76 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.183 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.176 -179.211 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 99.4 m-20 -72.15 -18.53 61.87 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.083 -0.508 . . . . 0.0 111.17 -175.065 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 104' ' ' GLN . . . . . . . . . . . . . 99.8 mm-40 -89.01 -4.97 58.25 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.302 -0.408 . . . . 0.0 111.45 179.817 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 24.3 tpp180 -70.0 109.96 4.81 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.86 -0.609 . . . . 0.0 111.15 179.509 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . -72.57 -14.59 77.59 Favored Glycine 0 CA--C 1.525 0.683 0 N-CA-C 111.273 -0.731 . . . . 0.0 111.273 -176.412 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 99.9 mtt180 -89.51 0.53 56.82 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.812 0.339 . . . . 0.0 111.01 -179.392 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 72.8 m . . . . . 1 C--O 0.999 -12.125 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.28 177.72 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.523 0.558 0 N-CA-C 111.165 -0.774 . . . . 0.0 111.165 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 64.99 -125.04 29.56 Favored Glycine 0 CA--C 1.523 0.575 0 N-CA-C 111.265 -0.734 . . . . 0.0 111.265 179.908 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 40.4 t -179.5 74.94 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 120.746 0.308 . . . . 0.0 111.182 -178.062 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 62.3 t30 54.96 45.07 27.22 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.315 -0.402 . . . . 0.0 111.212 -179.144 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -155.01 154.97 33.34 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.075 -0.511 . . . . 0.0 111.174 -177.844 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 85.0 m -134.97 130.2 35.41 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.31 -177.72 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -62.27 151.85 80.69 Favored Pre-proline 0 C--N 1.328 -0.367 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.166 -179.828 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 35.9 Cg_endo -64.48 145.63 88.02 Favored 'Trans proline' 0 N--CA 1.457 -0.624 0 C-N-CA 121.785 1.656 . . . . 0.0 111.15 179.873 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 86.8 t80 -161.42 139.95 9.65 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 121.004 0.43 . . . . 0.0 111.067 -176.895 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 90.3 m-85 -90.53 99.75 12.72 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.078 -0.51 . . . . 0.0 111.088 176.953 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 21.6 pt-20 -78.43 -14.94 59.15 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.049 -0.523 . . . . 0.0 111.199 175.989 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 63.0 ttp -140.32 107.37 5.45 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.15 168.141 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 99.4 mttt -93.0 167.97 11.45 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.033 -0.531 . . . . 0.0 111.247 -172.356 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 85.7 mt -81.86 157.59 24.34 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.344 177.184 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 97.3 mttt -114.97 179.76 3.86 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.295 -0.411 . . . . 0.0 111.313 177.144 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 22.9 t-160 -82.55 110.14 17.38 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.264 -0.425 . . . . 0.0 111.133 172.997 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 92.1 m-85 -98.18 143.58 28.54 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.388 -0.369 . . . . 0.0 111.297 -173.221 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 88.3 tttt -115.48 120.09 38.36 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.298 175.271 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 4.1 mp -126.25 139.29 52.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.101 -173.575 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 20' ' ' PHE . . . . . 0.42 ' HB3' HG23 ' A' ' 102' ' ' VAL . 12.6 m-30 -73.74 140.97 46.32 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.28 173.641 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 88.0 tt0 -56.62 117.48 3.93 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.246 179.514 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 96.45 -8.12 66.43 Favored Glycine 0 CA--C 1.524 0.618 0 N-CA-C 111.321 -0.711 . . . . 0.0 111.321 177.375 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 28.6 ttt -88.81 132.19 39.18 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 120.764 0.316 . . . . 0.0 111.375 -178.21 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 50.0 Cg_endo -66.15 151.02 84.68 Favored 'Trans proline' 0 C--N 1.326 -0.617 0 C-N-CA 121.73 1.62 . . . . 0.0 111.071 177.215 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 8.1 p -145.87 135.02 17.25 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.215 0 CA-C-N 116.092 -0.503 . . . . 0.0 111.085 -179.511 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 92.0 m -114.82 129.86 56.77 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.171 176.838 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 28.2 p90 -145.36 153.45 41.24 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.193 177.861 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 12.4 t -149.6 159.41 44.35 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.274 -167.711 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 48.2 t -147.59 147.11 29.71 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.132 -179.046 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 58.0 ttt85 -123.41 135.32 54.06 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.122 -172.446 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 31.7 m -116.41 163.98 13.14 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.219 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.117 -179.476 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -144.05 76.82 1.52 Allowed 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.307 177.762 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -117.74 -176.7 17.26 Favored Glycine 0 CA--C 1.521 0.437 0 N-CA-C 111.234 -0.747 . . . . 0.0 111.234 176.986 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 34' ' ' ASN . . . . . 0.473 ' HA ' ' HA ' ' A' ' 35' ' ' PRO . 54.2 t-20 -155.46 106.06 2.2 Favored Pre-proline 0 CA--C 1.51 -0.572 0 CA-C-O 121.256 0.55 . . . . 0.0 110.979 178.786 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 35' ' ' PRO . . . . . 0.473 ' HA ' ' HA ' ' A' ' 34' ' ' ASN . 30.0 Cg_exo -71.71 157.68 96.6 Favored 'Cis proline' 0 N--CA 1.456 -0.73 0 C-N-CA 121.564 -2.265 . . . . 0.0 111.318 7.541 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 99.0 mttt -58.56 127.8 82.37 Favored Pre-proline 0 C--N 1.332 -0.19 0 CA-C-N 116.11 -0.496 . . . . 0.0 111.145 -178.536 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 37' ' ' PRO . . . . . 0.447 ' HA ' ' HB3' ' A' ' 86' ' ' ASN . 74.0 Cg_exo -56.68 144.98 84.44 Favored 'Trans proline' 0 N--CA 1.458 -0.574 0 C-N-CA 121.636 1.557 . . . . 0.0 111.242 -177.184 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 98.8 mttt -89.04 75.53 7.94 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.37 174.559 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 79.0 mt -42.25 121.09 0.37 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 116.049 -0.523 . . . . 0.0 111.147 -170.693 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 75.5 m-85 -110.87 150.52 29.06 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.248 173.125 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 41' ' ' TRP . . . . . . . . . . . . . 91.1 m95 -117.7 140.33 49.82 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.288 -0.415 . . . . 0.0 111.164 178.448 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 44.1 p90 -153.37 146.53 24.67 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.318 168.557 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 13.5 tmtt? -110.0 109.85 20.58 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.081 -0.509 . . . . 0.0 111.198 -172.979 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 89.3 m-20 53.27 34.39 17.62 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.292 -0.413 . . . . 0.0 111.08 -176.789 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 96.52 -0.37 61.39 Favored Glycine 0 CA--C 1.525 0.671 0 N-CA-C 111.086 -0.805 . . . . 0.0 111.086 176.321 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 96.7 mttt -95.3 100.06 11.9 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.87 0.366 . . . . 0.0 111.099 -178.492 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 66.4 tt0 -51.46 128.77 23.68 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.13 -178.146 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 96.9 mt -100.35 124.59 53.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.133 -178.974 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 49' ' ' SER . . . . . 0.401 ' HA ' ' HD3' ' A' ' 50' ' ' PRO . 30.2 t -88.0 134.69 34.62 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-N 116.309 -0.405 . . . . 0.0 111.292 174.893 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 50' ' ' PRO . . . . . 0.401 ' HD3' ' HA ' ' A' ' 49' ' ' SER . 53.8 Cg_exo -54.59 138.14 74.58 Favored 'Trans proline' 0 N--CA 1.457 -0.648 0 C-N-CA 121.643 1.562 . . . . 0.0 111.336 178.446 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 98.0 mttt 58.46 56.91 4.09 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.295 177.857 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 14.5 t -94.93 -162.08 0.92 Allowed 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.275 178.847 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 99.5 m-20 -55.48 -45.96 76.93 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.342 -177.879 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 54' ' ' HIS . . . . . . . . . . . . . 99.7 m-70 -136.21 -4.93 2.11 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.038 -0.528 . . . . 0.0 111.334 179.86 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 55' ' ' TYR . . . . . . . . . . . . . 22.0 m-30 -108.57 96.88 6.64 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 121.168 0.509 . . . . 0.0 111.124 -173.445 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 97.1 m -100.07 120.58 40.07 Favored 'General case' 0 C--O 1.233 0.195 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.231 -179.181 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 98.1 mt -105.75 124.98 61.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.232 179.352 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 71.7 tp60 -116.94 107.83 15.05 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.185 172.884 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 42.3 ttm105 -101.28 100.05 10.51 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.162 -175.984 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 66.9 t0 -77.53 128.51 34.3 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.149 173.901 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 95.0 mt -66.97 -13.66 62.08 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.23 -174.615 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 24.3 t70 -60.79 -29.53 69.51 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.185 176.874 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 132.98 -0.45 4.45 Favored Glycine 0 CA--C 1.525 0.695 0 N-CA-C 110.967 -0.853 . . . . 0.0 110.967 176.456 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 97.6 m -107.34 134.81 49.85 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-O 120.83 0.348 . . . . 0.0 111.241 178.092 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 65' ' ' CYS . . . . . . . . . . . . . 35.5 t -133.77 135.05 43.65 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.989 175.387 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 29.3 t -115.79 139.06 50.54 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.181 -175.296 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 53.9 tp -115.9 115.7 26.68 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.063 173.754 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 75.4 t60 -100.89 130.03 46.83 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.245 178.34 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 100.0 m -103.48 115.91 31.41 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.106 171.659 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 84.1 m -69.29 -39.93 78.04 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.241 -175.236 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -137.05 81.21 1.86 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.102 -177.425 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 47.3 t -76.4 107.56 8.75 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.123 -0.489 . . . . 0.0 111.21 179.874 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 54.6 p -116.26 -176.84 3.04 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.213 -179.946 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 95.9 mt -64.2 -24.77 67.79 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.448 -177.967 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 98.7 m-20 -78.18 -17.82 56.3 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.067 174.741 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 63.6 m-20 -95.17 -16.12 22.8 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.292 178.362 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 54.9 t0 -54.85 128.59 33.8 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.039 -0.528 . . . . 0.0 111.303 173.009 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 157.43 -163.4 32.49 Favored Glycine 0 CA--C 1.524 0.616 0 N-CA-C 111.214 -0.755 . . . . 0.0 111.214 -177.095 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 75.0 m-20 -105.27 106.75 17.38 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.816 0.341 . . . . 0.0 111.126 -174.011 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 80' ' ' TYR . . . . . . . . . . . . . 67.4 m-85 -79.68 69.11 5.92 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.283 175.58 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 91.0 m -63.53 132.76 52.31 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.266 -0.425 . . . . 0.0 111.203 -170.62 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 82' ' ' ILE . . . . . 0.433 HG23 ' HB3' ' A' ' 93' ' ' CYS . 3.5 tt -110.09 139.32 33.9 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-N 116.296 -0.411 . . . . 0.0 111.16 -178.923 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 83' ' ' MET . . . . . . . . . . . . . 63.6 tpp -119.96 120.06 35.27 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.19 -175.112 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -86.92 70.21 10.31 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.335 -0.393 . . . . 0.0 111.161 175.1 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -82.79 122.25 27.96 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.235 -0.438 . . . . 0.0 111.33 -175.429 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 86' ' ' ASN . . . . . 0.474 ' CB ' ' CD ' ' A' ' 87' ' ' PRO . 27.1 p-10 -145.09 178.73 1.34 Allowed Pre-proline 0 C--N 1.327 -0.371 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.156 172.845 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 87' ' ' PRO . . . . . 0.474 ' CD ' ' CB ' ' A' ' 86' ' ' ASN . 77.8 Cg_exo -58.99 -25.14 76.5 Favored 'Trans proline' 0 N--CA 1.456 -0.707 0 C-N-CA 121.795 1.664 . . . . 0.0 111.241 -175.014 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 97.0 mm-40 -93.05 -3.09 54.9 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.187 -171.168 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 139.76 -165.76 25.79 Favored Glycine 0 CA--C 1.523 0.587 0 N-CA-C 111.311 -0.716 . . . . 0.0 111.311 -179.458 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 40.8 ptt180 -148.2 148.76 30.89 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.809 0.337 . . . . 0.0 111.107 179.523 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 61.2 t -132.26 133.52 60.2 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.23 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.155 178.319 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 31.4 t -99.71 137.65 37.88 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.287 -179.582 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 93' ' ' CYS . . . . . 0.433 ' HB3' HG23 ' A' ' 82' ' ' ILE . 47.8 t -136.05 133.59 37.56 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.282 172.919 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 86.0 m -71.43 128.89 37.33 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.19 -173.246 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -100.97 59.92 0.64 Allowed Glycine 0 CA--C 1.524 0.622 0 N-CA-C 111.113 -0.795 . . . . 0.0 111.113 175.367 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 80.9 ttt180 -61.3 111.27 1.68 Allowed 'General case' 0 C--N 1.327 -0.389 0 CA-C-O 120.713 0.292 . . . . 0.0 111.313 -172.041 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 3.4 mp -116.65 119.89 36.91 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.161 173.349 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 98' ' ' MET . . . . . . . . . . . . . 65.9 ttp -107.96 130.23 55.06 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.299 -179.432 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 96.7 t -111.28 125.0 68.57 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.366 0 CA-C-O 121.027 0.442 . . . . 0.0 111.298 -177.299 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 95.2 mm-40 -119.73 173.09 7.24 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.324 -179.918 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -65.05 147.58 53.22 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.204 179.227 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 102' ' ' VAL . . . . . 0.42 HG23 ' HB3' ' A' ' 20' ' ' PHE . 34.2 t -69.36 103.43 0.85 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.286 -178.371 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 99.5 m-20 -65.33 -25.08 67.45 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.145 -177.251 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 104' ' ' GLN . . . . . . . . . . . . . 88.2 mt-30 -75.92 -19.39 58.84 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.299 -0.409 . . . . 0.0 111.387 178.775 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 77.3 ttt180 -80.03 115.09 19.41 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 115.987 -0.552 . . . . 0.0 111.259 -177.854 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . -70.51 -17.55 74.71 Favored Glycine 0 CA--C 1.523 0.557 0 N-CA-C 111.254 -0.739 . . . . 0.0 111.254 -177.528 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 99.9 mtt180 -90.78 -2.62 57.78 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.768 0.318 . . . . 0.0 111.147 -179.898 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 41.8 t . . . . . 1 C--O 0.999 -12.124 0 CA-C-N 116.329 -0.396 . . . . 0.0 111.313 179.801 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.524 0.594 0 N-CA-C 111.212 -0.755 . . . . 0.0 111.212 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . 0.726 ' O ' ' CB ' ' A' ' 3' ' ' SER . . . 65.06 -125.02 29.35 Favored Glycine 0 CA--C 1.523 0.585 0 N-CA-C 111.383 -0.687 . . . . 0.0 111.383 -179.89 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 3' ' ' SER . . . . . 0.726 ' CB ' ' O ' ' A' ' 2' ' ' GLY . 45.8 p 132.3 -5.01 0.0 OUTLIER 'General case' 0 C--O 1.236 0.391 0 CA-C-O 120.688 0.28 . . . . 0.0 111.198 -167.172 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 62.3 t30 55.39 45.01 26.23 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.406 -0.361 . . . . 0.0 111.118 -178.756 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -155.1 155.02 33.3 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.177 -178.431 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 87.6 m -139.42 127.88 22.92 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.364 -178.593 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -65.05 145.31 99.12 Favored Pre-proline 0 C--N 1.328 -0.368 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.21 -179.41 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 77.8 Cg_exo -53.83 130.0 36.95 Favored 'Trans proline' 0 N--CA 1.458 -0.611 0 C-N-CA 121.738 1.625 . . . . 0.0 111.2 179.918 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 91.6 t80 -155.74 123.8 5.76 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.995 0.426 . . . . 0.0 111.049 174.71 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 53.7 m-85 -70.77 105.95 3.39 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.073 -0.512 . . . . 0.0 111.166 -178.084 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 15.5 pt-20 -71.51 -19.98 62.11 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.121 170.261 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 67.5 ttp -140.71 114.63 9.03 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.191 172.971 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 98.5 mttt -98.38 171.42 8.19 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.083 -0.508 . . . . 0.0 111.209 -175.384 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 96.0 mt -77.52 147.33 35.86 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.185 -179.354 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 97.3 mttt -105.03 165.05 11.34 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.291 -178.706 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 23.5 t-160 -89.85 109.97 20.93 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.165 176.694 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 96.3 m-85 -100.29 144.93 28.72 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.381 -0.372 . . . . 0.0 111.292 -175.734 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 97.3 mttt -111.64 90.63 3.39 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.207 176.06 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 19' ' ' ILE . . . . . 0.465 ' O ' ' HA ' ' A' ' 99' ' ' VAL . 42.8 mm -109.95 140.04 30.61 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.261 -169.433 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 49.8 m-85 -77.6 141.26 39.6 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.315 -0.402 . . . . 0.0 111.254 178.838 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 21.1 pt-20 -51.84 125.5 15.34 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.103 -0.498 . . . . 0.0 111.194 -179.325 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 97.7 -21.01 48.36 Favored Glycine 0 CA--C 1.526 0.78 0 N-CA-C 111.156 -0.778 . . . . 0.0 111.156 177.469 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 60.0 ttm -76.97 135.86 66.84 Favored Pre-proline 0 C--N 1.328 -0.346 0 CA-C-O 120.86 0.362 . . . . 0.0 111.306 -177.67 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 73.9 Cg_endo -71.53 150.38 57.35 Favored 'Trans proline' 0 N--CA 1.459 -0.554 0 C-N-CA 121.601 1.534 . . . . 0.0 111.15 175.823 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 7.8 p -152.56 132.72 3.91 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.239 0 CA-C-N 115.992 -0.549 . . . . 0.0 111.187 177.214 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 92.5 m -109.26 130.82 55.48 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.14 176.423 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 22.3 p90 -147.96 149.61 32.49 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.067 -0.515 . . . . 0.0 111.142 179.492 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 8.9 t -151.39 160.87 43.54 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.133 -163.369 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 27.1 p -139.57 172.66 12.48 Favored 'General case' 0 C--O 1.234 0.259 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.156 175.601 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 57.5 ttt85 -147.61 133.06 18.62 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 116.405 -0.361 . . . . 0.0 111.143 -177.877 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 10.6 p -115.9 128.27 73.23 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.423 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.188 -178.224 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -101.11 69.1 1.28 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.162 -177.696 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -110.46 -178.11 20.74 Favored Glycine 0 CA--C 1.522 0.518 0 N-CA-C 111.221 -0.752 . . . . 0.0 111.221 179.1 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 34' ' ' ASN . . . . . 0.428 ' HA ' ' C ' ' A' ' 35' ' ' PRO . 54.1 t-20 -158.16 108.39 1.72 Allowed Pre-proline 0 CA--C 1.511 -0.545 0 CA-C-O 121.212 0.53 . . . . 0.0 110.94 178.086 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 35' ' ' PRO . . . . . 0.428 ' C ' ' HA ' ' A' ' 34' ' ' ASN . 24.6 Cg_exo -73.21 164.87 85.86 Favored 'Cis proline' 0 N--CA 1.457 -0.623 0 C-N-CA 121.694 -2.211 . . . . 0.0 111.174 7.637 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . 0.438 ' HD2' ' N ' ' A' ' 36' ' ' LYS . 4.3 mptp? -59.92 111.9 4.59 Favored Pre-proline 0 C--N 1.33 -0.265 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.112 -176.373 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 37' ' ' PRO . . . . . 0.439 ' HB2' ' HB2' ' A' ' 84' ' ' ALA . 51.6 Cg_exo -59.72 146.32 95.79 Favored 'Trans proline' 0 N--CA 1.46 -0.49 0 C-N-CA 121.66 1.573 . . . . 0.0 111.088 -178.766 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 98.9 mttt -87.96 127.72 35.37 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.036 -0.529 . . . . 0.0 111.344 174.345 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 87.4 mt -97.15 116.21 38.84 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.039 -174.198 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 92.7 m-85 -103.32 144.83 30.85 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.269 -178.644 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 41' ' ' TRP . . . . . . . . . . . . . 87.7 m95 -105.75 134.62 48.57 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.236 -177.39 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 36.4 p90 -150.2 141.72 23.46 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.272 166.34 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 14.4 tmtt? -109.57 110.04 21.0 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.188 -173.669 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 93.0 m-20 54.98 33.27 19.82 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.301 -0.409 . . . . 0.0 111.176 -174.772 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 94.89 -0.85 64.93 Favored Glycine 0 CA--C 1.524 0.647 0 N-CA-C 111.218 -0.753 . . . . 0.0 111.218 176.991 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 96.9 mttt -94.6 99.9 11.96 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.827 0.346 . . . . 0.0 111.194 -178.611 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 66.3 tt0 -51.6 128.66 23.83 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.119 -177.95 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 97.3 mt -98.4 124.86 51.76 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.273 -178.756 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 30.3 t -86.41 132.88 41.64 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-N 116.336 -0.393 . . . . 0.0 111.197 175.68 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 52.1 Cg_exo -55.02 140.41 79.99 Favored 'Trans proline' 0 N--CA 1.457 -0.661 0 C-N-CA 121.538 1.492 . . . . 0.0 111.25 177.986 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 98.3 mttt 58.14 54.16 6.08 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.258 177.463 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 15.6 t -95.1 -161.71 0.88 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.143 178.995 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 99.5 m-20 -55.32 -44.91 76.28 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.292 -177.123 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 54' ' ' HIS . . . . . . . . . . . . . 99.3 m-70 -135.81 -4.96 2.2 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.349 -178.564 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 55' ' ' TYR . . . . . . . . . . . . . 18.2 m-30 -110.01 95.63 5.72 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.122 -172.913 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 96.3 m -97.56 115.05 27.11 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.092 -0.504 . . . . 0.0 111.165 178.141 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 98.0 mt -102.49 133.58 45.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.115 -178.681 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 70.8 tp60 -130.02 110.2 11.45 Favored 'General case' 0 C--O 1.234 0.289 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.091 174.053 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 43.1 ttm105 -102.32 99.98 10.11 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.208 -175.651 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 66.5 t0 -71.75 128.08 34.64 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.2 173.159 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 95.0 mt -66.55 -15.26 63.27 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.268 -174.974 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 22.8 t70 -64.52 -26.27 68.35 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.301 -0.408 . . . . 0.0 111.059 178.273 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 132.36 0.23 4.59 Favored Glycine 0 CA--C 1.524 0.601 0 N-CA-C 111.135 -0.786 . . . . 0.0 111.135 176.279 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 84.0 m -100.1 135.23 41.84 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.794 0.331 . . . . 0.0 111.231 177.975 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 65' ' ' CYS . . . . . . . . . . . . . 49.6 t -134.88 123.75 23.95 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.189 178.524 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 50.7 m -110.9 147.87 33.68 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.133 -174.065 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 59.6 tp -126.15 120.25 29.63 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.038 -0.528 . . . . 0.0 111.259 168.715 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 71.5 t60 -97.81 124.76 42.33 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.216 172.896 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 96.9 m -100.38 114.9 28.8 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.133 172.391 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 82.6 m -67.16 -40.08 86.59 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.155 -175.853 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -142.91 89.64 2.14 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.134 -177.173 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 22.9 t -78.05 80.07 4.49 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.137 -177.429 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 58.0 p -83.35 176.37 9.16 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.145 -178.975 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 93.9 mt -59.76 -31.27 69.5 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.16 -175.856 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 99.7 m-20 -72.9 -15.67 61.58 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.134 178.967 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 70.0 m-20 -92.21 -4.84 53.56 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.125 -0.488 . . . . 0.0 111.152 179.157 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 53.9 t0 -68.4 128.28 36.02 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.161 174.091 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 156.36 -164.03 32.28 Favored Glycine 0 CA--C 1.522 0.509 0 N-CA-C 111.185 -0.766 . . . . 0.0 111.185 -178.491 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 73.6 m-80 -97.63 110.2 22.81 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.989 0.423 . . . . 0.0 111.113 -173.826 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 80' ' ' TYR . . . . . . . . . . . . . 75.0 m-85 -81.73 60.36 4.62 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.149 172.615 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 76.0 m -65.03 135.73 55.94 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.209 -176.15 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 42.4 pt -121.31 159.77 23.14 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.152 -176.865 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 83' ' ' MET . . . . . . . . . . . . . 60.0 tpp -133.01 117.39 17.56 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.286 -0.415 . . . . 0.0 111.331 178.259 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 84' ' ' ALA . . . . . 0.439 ' HB2' ' HB2' ' A' ' 37' ' ' PRO . . . -95.09 106.76 18.79 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.38 -0.373 . . . . 0.0 110.972 174.808 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -114.11 133.94 55.22 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.312 -0.404 . . . . 0.0 111.258 -172.774 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 86' ' ' ASN . . . . . 0.501 ' CB ' ' CD ' ' A' ' 87' ' ' PRO . 23.7 p-10 -140.76 -179.87 1.09 Allowed Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.026 0.441 . . . . 0.0 111.055 170.637 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 87' ' ' PRO . . . . . 0.501 ' CD ' ' CB ' ' A' ' 86' ' ' ASN . 78.5 Cg_exo -59.31 -25.39 78.17 Favored 'Trans proline' 0 N--CA 1.458 -0.594 0 C-N-CA 121.691 1.594 . . . . 0.0 111.23 -175.1 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 98.1 mm-40 -94.12 -4.97 48.28 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.236 -169.802 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 144.9 -162.31 28.08 Favored Glycine 0 CA--C 1.522 0.502 0 N-CA-C 111.24 -0.744 . . . . 0.0 111.24 -178.098 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 41.7 ptt180 -150.35 158.63 44.37 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.587 0.232 . . . . 0.0 111.153 179.574 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 13.5 p -142.95 137.76 27.07 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.376 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.15 174.623 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 89.9 p -99.27 165.87 11.48 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.257 -177.271 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 93' ' ' CYS . . . . . . . . . . . . . 46.7 t -158.63 130.03 6.45 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.37 172.335 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 91.9 m -81.21 125.45 30.31 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.356 -175.824 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -103.74 56.9 0.57 Allowed Glycine 0 CA--C 1.523 0.578 0 N-CA-C 111.139 -0.784 . . . . 0.0 111.139 -179.073 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -60.08 110.05 1.11 Allowed 'General case' 0 C--N 1.327 -0.385 0 CA-C-O 120.711 0.291 . . . . 0.0 111.158 -178.257 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 2.5 mp -119.86 140.14 51.3 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.357 -0.383 . . . . 0.0 111.202 174.468 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 98' ' ' MET . . . . . . . . . . . . . 65.5 ttp -120.91 139.39 53.29 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.165 -173.175 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 99' ' ' VAL . . . . . 0.465 ' HA ' ' O ' ' A' ' 19' ' ' ILE . 85.0 t -116.48 135.07 57.93 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.222 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.279 -176.118 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 84.7 mt-30 -107.64 143.36 36.22 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.046 179.573 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -75.12 152.78 38.49 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.172 179.887 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 102' ' ' VAL . . . . . . . . . . . . . 85.7 t -105.43 115.15 46.66 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.197 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.266 178.64 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 99.6 m-20 -69.42 -21.86 63.72 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.158 -175.052 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 104' ' ' GLN . . . . . . . . . . . . . 99.7 mm-40 -85.81 -4.93 59.29 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.336 -179.731 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 58.9 ttm-85 -74.12 115.07 13.18 Favored 'General case' 0 C--O 1.234 0.257 0 CA-C-N 115.958 -0.565 . . . . 0.0 111.306 177.878 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . -71.8 -16.5 76.29 Favored Glycine 0 CA--C 1.524 0.63 0 N-CA-C 111.286 -0.725 . . . . 0.0 111.286 -177.53 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 99.8 mtt180 -90.28 -4.7 57.0 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 120.702 0.287 . . . . 0.0 111.127 179.6 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 41.6 t . . . . . 1 C--O 1.002 -11.956 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.266 -179.583 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.524 0.594 0 N-CA-C 111.19 -0.764 . . . . 0.0 111.19 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 65.13 -131.35 35.99 Favored Glycine 0 CA--C 1.523 0.588 0 N-CA-C 111.347 -0.701 . . . . 0.0 111.347 -179.892 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 93.5 p -159.9 168.97 24.52 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 120.653 0.263 . . . . 0.0 111.093 -179.986 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 62.2 t30 55.28 45.0 26.56 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.156 179.881 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -155.37 155.06 32.96 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.209 -179.282 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 88.3 m -140.0 129.66 24.41 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.246 -178.366 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -61.9 152.89 75.1 Favored Pre-proline 0 C--N 1.327 -0.403 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.143 -179.164 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 34.6 Cg_endo -63.93 146.56 91.56 Favored 'Trans proline' 0 N--CA 1.459 -0.535 0 C-N-CA 121.541 1.494 . . . . 0.0 111.269 179.688 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 87.2 t80 -163.36 140.03 7.17 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.317 -0.401 . . . . 0.0 111.208 -176.862 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 72.3 m-85 -89.89 99.17 12.23 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.126 175.938 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 20.2 pt-20 -75.99 -15.34 60.17 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.161 175.887 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 66.1 ttp -137.59 107.99 6.5 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.167 167.76 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 99.5 mttt -95.37 167.35 11.39 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.193 -169.46 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 92.7 mt -83.05 172.29 12.88 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.278 176.677 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 64.0 pttt -135.04 178.79 6.75 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.172 175.161 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 18.2 t-160 -72.84 108.75 5.96 Favored 'General case' 0 C--O 1.234 0.247 0 CA-C-N 116.094 -0.503 . . . . 0.0 111.118 176.078 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 77.8 m-85 -96.41 145.34 25.73 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.421 -0.354 . . . . 0.0 111.414 -176.281 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 99.0 mttt -135.2 139.74 44.76 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.31 -0.404 . . . . 0.0 111.209 177.057 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 10.0 tp -148.38 150.04 14.6 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-N 116.063 -0.517 . . . . 0.0 111.253 -178.229 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 14.9 m-30 -75.02 144.96 42.82 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.412 -0.358 . . . . 0.0 111.243 171.124 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 87.7 tt0 -54.98 124.96 18.42 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 121.027 0.442 . . . . 0.0 111.094 -177.724 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 104.3 -16.21 49.45 Favored Glycine 0 CA--C 1.524 0.613 0 N-CA-C 111.103 -0.799 . . . . 0.0 111.103 171.593 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 91.0 mtp -85.32 154.97 60.16 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 120.931 0.396 . . . . 0.0 111.286 -176.098 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 81.3 Cg_endo -74.91 153.82 42.49 Favored 'Trans proline' 0 N--CA 1.458 -0.615 0 C-N-CA 121.679 1.586 . . . . 0.0 111.289 177.879 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 48.4 t -134.95 123.92 41.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.088 -0.505 . . . . 0.0 111.21 178.285 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 80.8 p -118.45 128.09 54.28 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.085 -179.191 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 35.3 p90 -156.71 161.29 39.84 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.199 175.928 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 13.2 t -153.17 162.08 41.71 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.169 -172.177 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 37.4 t -147.21 147.6 30.63 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.104 -178.191 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 60.8 ttt85 -124.25 136.32 54.06 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.142 -173.93 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 26.9 m -111.87 160.7 11.08 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.432 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.184 -179.388 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -144.81 77.9 1.55 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.229 177.681 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -122.14 -171.7 14.0 Favored Glycine 0 CA--C 1.522 0.474 0 N-CA-C 111.24 -0.744 . . . . 0.0 111.24 176.746 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 34' ' ' ASN . . . . . 0.489 ' HA ' ' HA ' ' A' ' 35' ' ' PRO . 54.1 t-20 -155.25 105.87 2.24 Favored Pre-proline 0 CA--C 1.51 -0.575 0 CA-C-O 121.154 0.502 . . . . 0.0 110.935 178.741 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 35' ' ' PRO . . . . . 0.489 ' HA ' ' HA ' ' A' ' 34' ' ' ASN . 27.5 Cg_exo -70.88 157.16 95.43 Favored 'Cis proline' 0 N--CA 1.458 -0.609 0 C-N-CA 121.563 -2.266 . . . . 0.0 111.202 6.059 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 98.6 mttt -56.49 126.11 68.62 Favored Pre-proline 0 C--N 1.331 -0.216 0 CA-C-N 116.092 -0.504 . . . . 0.0 111.036 179.766 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 37' ' ' PRO . . . . . 0.471 ' HA ' ' HB3' ' A' ' 86' ' ' ASN . 78.5 Cg_exo -56.72 145.46 82.33 Favored 'Trans proline' 0 N--CA 1.459 -0.556 0 C-N-CA 121.565 1.51 . . . . 0.0 111.234 -176.741 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 98.8 mttt -91.25 97.12 10.93 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.386 173.257 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 94.5 mt -61.28 120.05 6.43 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.144 -171.485 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 80.3 m-85 -112.13 147.65 35.65 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.239 173.609 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 41' ' ' TRP . . . . . . . . . . . . . 92.6 m95 -116.49 139.92 49.94 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-O 121.036 0.446 . . . . 0.0 111.235 178.919 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 42.7 p90 -151.9 146.44 25.65 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.101 -0.5 . . . . 0.0 111.222 170.002 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 13.1 tmtt? -110.11 109.97 20.68 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.194 -173.627 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 92.0 m-20 54.15 33.7 18.5 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.148 -176.963 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 96.83 -1.92 61.7 Favored Glycine 0 CA--C 1.524 0.633 0 N-CA-C 111.194 -0.762 . . . . 0.0 111.194 176.767 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 96.8 mttt -95.26 99.93 11.8 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.865 0.365 . . . . 0.0 111.153 -177.901 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 66.4 tt0 -50.62 127.53 18.19 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.298 -0.41 . . . . 0.0 111.166 -178.777 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 95.5 mt -96.25 124.07 48.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.203 -177.999 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 31.0 t -84.81 131.75 48.3 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.216 174.504 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 55.1 Cg_exo -54.09 137.12 69.42 Favored 'Trans proline' 0 N--CA 1.457 -0.636 0 C-N-CA 121.682 1.588 . . . . 0.0 111.184 178.156 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 97.8 mttt 59.11 57.65 3.42 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.264 -0.426 . . . . 0.0 111.229 178.401 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 14.1 t -94.99 -161.58 0.87 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.101 179.056 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 99.4 m-20 -55.12 -45.17 75.53 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.226 -178.235 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 54' ' ' HIS . . . . . . . . . . . . . 99.3 m-70 -136.52 -6.38 1.98 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.296 179.227 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 55' ' ' TYR . . . . . . . . . . . . . 21.9 m-30 -105.61 95.93 6.15 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.12 -172.427 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 97.9 m -96.43 123.24 40.01 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.116 179.685 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 98.7 mt -110.57 132.62 58.48 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.313 -0.403 . . . . 0.0 111.084 178.061 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 70.0 tp60 -130.0 110.12 11.41 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.041 174.913 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 40.8 ttm105 -101.8 99.94 10.23 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.249 -175.78 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 66.3 t0 -72.4 131.59 42.81 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.315 -0.402 . . . . 0.0 111.176 174.304 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 95.3 mt -67.75 -13.1 61.83 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.033 -0.53 . . . . 0.0 111.21 -175.459 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 99.3 m-20 -63.88 -26.78 68.76 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.394 -0.366 . . . . 0.0 111.055 177.095 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 128.42 3.35 5.67 Favored Glycine 0 CA--C 1.524 0.595 0 N-CA-C 110.961 -0.856 . . . . 0.0 110.961 177.331 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 89.4 m -108.77 137.34 46.86 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.796 0.331 . . . . 0.0 111.245 177.4 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 65' ' ' CYS . . . . . . . . . . . . . 35.9 t -134.6 134.88 41.75 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.109 175.092 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 48.9 m -110.05 146.62 35.04 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.175 -176.469 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 57.7 tp -124.48 111.72 16.04 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.225 172.681 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 56.1 m170 -108.82 122.64 47.6 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.331 -176.216 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 98.2 m -96.83 120.1 36.53 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.133 175.469 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 80.2 m -65.02 -45.12 86.8 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.06 -0.518 . . . . 0.0 111.237 -175.967 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -144.4 88.58 1.94 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.175 -175.884 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 47.3 t -77.13 109.06 10.67 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.186 -177.631 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 52.9 p -110.26 -178.72 3.58 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 116.322 -0.399 . . . . 0.0 111.111 179.538 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 97.2 mt -60.87 -28.69 69.05 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.054 -0.521 . . . . 0.0 111.163 -178.361 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 98.9 m-20 -76.88 -17.54 58.89 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.04 176.758 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 67.6 m-20 -94.92 -14.95 24.01 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.268 178.792 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 57.1 t0 -55.89 127.98 32.88 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.149 173.883 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 160.72 -163.62 34.22 Favored Glycine 0 CA--C 1.524 0.636 0 N-CA-C 111.163 -0.775 . . . . 0.0 111.163 -179.217 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 73.7 m-80 -106.38 108.99 20.78 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.928 0.394 . . . . 0.0 111.135 -174.502 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 80' ' ' TYR . . . . . . . . . . . . . 56.7 m-85 -84.0 70.22 10.43 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.214 177.568 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 85.5 m -64.87 135.19 55.45 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.241 -170.847 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 4.6 tt -108.5 139.97 28.87 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.141 -179.779 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 83' ' ' MET . . . . . . . . . . . . . 64.1 ttp -121.3 120.39 34.96 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.369 -176.4 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -88.73 69.41 8.72 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.348 -0.387 . . . . 0.0 111.039 175.676 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -78.92 124.05 27.86 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.313 -0.403 . . . . 0.0 111.234 -175.84 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 86' ' ' ASN . . . . . 0.471 ' HB3' ' HA ' ' A' ' 37' ' ' PRO . 27.1 p-10 -147.35 178.12 1.55 Allowed Pre-proline 0 C--N 1.329 -0.31 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.238 172.306 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 87' ' ' PRO . . . . . 0.457 ' CD ' ' CB ' ' A' ' 86' ' ' ASN . 76.8 Cg_exo -58.45 -25.05 72.05 Favored 'Trans proline' 0 N--CA 1.456 -0.722 0 C-N-CA 121.788 1.658 . . . . 0.0 111.233 -175.399 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 96.8 mm-40 -92.89 -5.21 51.4 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.16 -170.561 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 143.59 -154.24 25.4 Favored Glycine 0 CA--C 1.525 0.662 0 N-CA-C 111.243 -0.743 . . . . 0.0 111.243 179.953 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 40.5 ptt180 -155.95 149.28 24.64 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.551 0.215 . . . . 0.0 111.185 177.89 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 59.4 t -128.07 130.91 69.81 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.276 176.826 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 31.4 t -103.28 133.93 47.53 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.326 -179.566 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 93' ' ' CYS . . . . . . . . . . . . . 52.6 t -135.39 131.81 36.77 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.297 174.424 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 85.4 m -71.25 128.01 34.48 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.361 -0.382 . . . . 0.0 111.221 -173.708 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -101.61 58.22 0.64 Allowed Glycine 0 CA--C 1.524 0.641 0 N-CA-C 111.041 -0.824 . . . . 0.0 111.041 175.635 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 80.8 ttt180 -58.53 123.07 15.01 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.707 0.289 . . . . 0.0 111.244 -173.49 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 56.8 tp -130.14 114.18 15.4 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.078 172.121 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 98' ' ' MET . . . . . . . . . . . . . 98.3 mmm -99.93 141.28 32.96 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.13 -0.487 . . . . 0.0 111.107 179.731 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 85.9 t -116.38 119.45 61.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.047 -0.524 . . . . 0.0 111.242 -177.132 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 62.8 tp60 -91.26 120.66 32.35 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.092 -0.504 . . . . 0.0 111.158 178.158 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -68.12 120.12 13.81 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.135 173.746 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 102' ' ' VAL . . . . . . . . . . . . . 67.9 t -128.16 114.42 34.44 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.157 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.161 179.497 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 99.3 m-20 -68.72 -22.73 64.32 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.046 -0.525 . . . . 0.0 111.19 -174.184 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 104' ' ' GLN . . . . . . . . . . . . . 98.9 mm-40 -83.77 -15.7 47.48 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.432 -179.654 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 23.5 tpp180 -77.53 109.43 11.46 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 115.856 -0.611 . . . . 0.0 111.25 178.865 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . -68.18 -17.87 70.54 Favored Glycine 0 CA--C 1.525 0.677 0 N-CA-C 111.243 -0.743 . . . . 0.0 111.243 -174.999 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 99.4 mtt180 -75.37 -21.46 58.29 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.955 0.407 . . . . 0.0 111.225 179.561 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 49.3 m . . . . . 1 C--O 1.0 -12.047 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.288 -178.972 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.524 0.644 0 N-CA-C 111.233 -0.747 . . . . 0.0 111.233 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 75.58 -154.94 46.26 Favored Glycine 0 CA--C 1.524 0.629 0 N-CA-C 111.301 -0.72 . . . . 0.0 111.301 -179.902 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 87.6 p -119.27 -2.77 10.6 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-O 120.802 0.334 . . . . 0.0 111.135 179.82 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 62.4 t30 55.01 45.04 27.22 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.303 -0.408 . . . . 0.0 111.182 -179.191 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -155.04 154.98 33.31 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.076 -0.511 . . . . 0.0 111.184 -178.9 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 87.3 m -140.0 127.73 21.83 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.079 -0.509 . . . . 0.0 111.274 -178.099 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -64.77 146.93 98.41 Favored Pre-proline 0 C--N 1.328 -0.347 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.197 178.394 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 76.5 Cg_exo -54.23 130.76 41.38 Favored 'Trans proline' 0 C--N 1.327 -0.579 0 C-N-CA 121.678 1.586 . . . . 0.0 111.117 -179.942 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 90.3 t80 -144.13 120.25 10.77 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.22 177.65 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 78.2 m-85 -68.71 83.94 0.29 Allowed 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.078 -0.51 . . . . 0.0 111.234 -179.377 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 16.5 pt-20 -64.89 -20.65 66.55 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.197 176.711 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 67.4 ttp -138.06 111.35 7.96 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.153 169.991 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 99.6 mttt -95.36 165.08 12.55 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.19 -172.242 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 90.4 mt -79.59 157.84 27.25 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.293 176.39 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 97.2 mttt -113.64 175.65 5.37 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.24 178.647 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 16.3 t-160 -78.03 106.65 10.04 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.147 173.227 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 76.1 m-85 -97.45 142.62 29.07 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.233 -173.015 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 99.6 mttt -136.6 119.39 16.2 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.294 -0.412 . . . . 0.0 111.239 178.239 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 2.8 pp -137.29 178.59 4.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.194 177.545 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 91.7 m-85 -102.27 145.85 28.85 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.237 -177.814 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . 0.516 ' HG3' ' O ' ' A' ' 21' ' ' GLU . 11.0 pt-20 -54.77 124.98 18.2 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.117 -176.455 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 101.17 -12.85 58.8 Favored Glycine 0 CA--C 1.524 0.634 0 N-CA-C 111.181 -0.767 . . . . 0.0 111.181 173.783 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 98.4 mmm -87.43 150.18 48.38 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 120.883 0.373 . . . . 0.0 111.361 -178.35 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 74.0 Cg_endo -71.32 154.33 61.25 Favored 'Trans proline' 0 N--CA 1.46 -0.498 0 C-N-CA 121.65 1.567 . . . . 0.0 111.264 173.961 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 8.3 p -152.07 130.1 2.59 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.365 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.147 176.256 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 87.2 m -112.09 130.0 56.03 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.244 179.814 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 35.2 p90 -148.46 150.38 33.36 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.246 176.832 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 9.3 t -150.83 155.86 40.07 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.308 -0.406 . . . . 0.0 111.123 -166.307 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 37.7 t -144.79 147.08 32.48 Favored 'General case' 0 C--O 1.234 0.244 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.192 -178.872 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 78.4 ttt180 -127.61 137.87 52.69 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.365 -0.379 . . . . 0.0 111.047 -173.431 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 60.6 t -124.99 125.91 70.33 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.222 -173.312 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -88.14 65.47 8.15 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.169 177.269 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -107.1 162.68 13.38 Favored Glycine 0 CA--C 1.523 0.538 0 N-CA-C 111.196 -0.761 . . . . 0.0 111.196 -177.466 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 34' ' ' ASN . . . . . 0.438 ' HA ' ' HA ' ' A' ' 35' ' ' PRO . 54.0 t-20 -155.06 108.28 2.29 Favored Pre-proline 0 CA--C 1.511 -0.52 0 CA-C-O 121.227 0.537 . . . . 0.0 110.927 178.795 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 35' ' ' PRO . . . . . 0.438 ' HA ' ' HA ' ' A' ' 34' ' ' ASN . 25.1 Cg_exo -74.64 163.35 90.69 Favored 'Cis proline' 0 N--CA 1.458 -0.601 0 C-N-CA 121.484 -2.298 . . . . 0.0 111.233 9.522 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 66.8 mmtt -54.43 117.25 12.77 Favored Pre-proline 0 C--O 1.232 0.176 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.021 179.288 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 50.3 Cg_exo -58.59 148.3 82.45 Favored 'Trans proline' 0 N--CA 1.458 -0.579 0 C-N-CA 121.687 1.592 . . . . 0.0 111.234 -178.154 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 99.5 mttt -80.03 69.94 6.51 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.209 176.665 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 92.9 mt -41.96 118.45 0.21 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.23 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.181 -170.291 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 75.6 m-85 -107.35 149.51 27.76 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.33 -0.395 . . . . 0.0 111.365 175.938 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 41' ' ' TRP . . . . . . . . . . . . . 83.8 m95 -122.53 139.99 53.27 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-O 121.095 0.474 . . . . 0.0 111.175 176.932 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 39.2 p90 -152.76 146.43 25.09 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.08 -0.509 . . . . 0.0 111.227 172.288 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . 0.422 ' HB2' HD12 ' A' ' 48' ' ' ILE . 11.7 tmtt? -110.04 109.99 20.74 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.241 -174.661 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 92.1 m-20 54.27 33.55 18.5 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.256 -176.54 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 96.25 -0.32 61.89 Favored Glycine 0 CA--C 1.524 0.646 0 N-CA-C 111.29 -0.724 . . . . 0.0 111.29 176.512 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 96.8 mttt -95.04 100.18 12.05 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.924 0.392 . . . . 0.0 111.172 -178.666 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 66.3 tt0 -52.46 129.56 29.1 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.259 -178.195 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 48' ' ' ILE . . . . . 0.422 HD12 ' HB2' ' A' ' 43' ' ' LYS . 96.3 mt -105.12 124.99 60.22 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.055 -0.521 . . . . 0.0 111.044 -178.608 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 29.8 t -87.09 135.74 34.68 Favored Pre-proline 0 C--N 1.327 -0.379 0 CA-C-N 116.246 -0.433 . . . . 0.0 111.22 173.831 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_exo -54.81 142.41 74.41 Favored 'Trans proline' 0 N--CA 1.457 -0.628 0 C-N-CA 121.692 1.595 . . . . 0.0 111.242 178.206 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 97.8 mttt 59.4 56.71 3.64 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.344 -0.389 . . . . 0.0 111.211 178.447 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 12.6 t -94.86 -161.12 0.83 Allowed 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.344 178.251 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 99.4 m-20 -55.01 -45.94 75.15 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.268 -0.423 . . . . 0.0 111.225 -178.518 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 54' ' ' HIS . . . . . . . . . . . . . 99.8 m-70 -136.56 -6.39 1.97 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.389 177.995 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 55' ' ' TYR . . . . . . . . . . . . . 22.3 m-30 -101.15 93.16 5.32 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.117 -173.376 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 98.8 m -95.1 114.97 26.83 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.175 179.095 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 92.8 mt -106.81 115.15 47.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.345 -0.389 . . . . 0.0 111.148 -179.563 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 98.6 mm-40 -107.76 109.49 21.07 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.157 174.526 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 38.3 ttm105 -99.97 100.02 10.85 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.311 -0.404 . . . . 0.0 111.205 -176.498 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 62.8 t0 -73.17 135.84 44.69 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.355 -0.384 . . . . 0.0 111.24 176.352 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 95.5 mt -69.73 -10.2 57.4 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.114 -177.353 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 99.0 m-20 -67.05 -17.18 64.78 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.152 175.636 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 113.19 13.77 10.52 Favored Glycine 0 CA--C 1.525 0.679 0 N-CA-C 111.081 -0.807 . . . . 0.0 111.081 176.189 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 10.2 t -125.44 141.17 52.21 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.833 0.349 . . . . 0.0 111.191 179.247 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 65' ' ' CYS . . . . . . . . . . . . . 36.3 t -137.2 138.36 40.1 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.154 -177.49 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 42.3 t -118.35 126.73 52.72 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.25 -177.775 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . 0.598 ' C ' HD21 ' A' ' 67' ' ' LEU . 4.1 tt -100.15 82.6 2.55 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.147 177.293 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 70.6 t60 -73.24 120.03 18.3 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.357 -0.383 . . . . 0.0 111.349 179.983 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 89.5 m -100.57 121.04 40.93 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.052 -0.522 . . . . 0.0 111.11 177.283 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 80.6 m -69.55 -44.22 71.35 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.169 -175.1 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -144.93 87.84 1.86 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.213 -175.819 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 43.1 t -82.56 106.76 14.69 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.183 179.986 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 45.3 p -100.69 179.94 4.27 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.075 -0.511 . . . . 0.0 111.203 -178.434 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 94.0 mt -59.13 -32.21 69.64 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.107 -179.379 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 98.9 m-20 -74.99 -15.64 60.65 Favored 'General case' 0 N--CA 1.453 -0.287 0 CA-C-N 116.297 -0.411 . . . . 0.0 111.111 178.477 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 70.2 m-20 -95.19 -2.61 49.35 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.295 178.796 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 57.8 t0 -66.18 127.18 31.16 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.19 176.546 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 161.9 -163.47 34.79 Favored Glycine 0 CA--C 1.525 0.699 0 N-CA-C 111.289 -0.724 . . . . 0.0 111.289 -179.073 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 73.6 m-80 -105.48 109.16 21.03 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 120.861 0.362 . . . . 0.0 111.205 -173.517 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 80' ' ' TYR . . . . . . . . . . . . . 27.9 m-85 -83.68 70.02 10.25 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.088 178.099 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 88.3 m -64.77 134.64 54.56 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.226 -172.485 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 1.8 tt -107.45 140.07 27.03 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.266 -0.425 . . . . 0.0 111.146 177.373 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 83' ' ' MET . . . . . . . . . . . . . 65.9 ttp -122.47 119.94 32.44 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.316 -178.561 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -90.94 79.92 5.83 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.275 -0.421 . . . . 0.0 111.086 178.096 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -92.34 119.13 31.6 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.208 -175.64 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 86' ' ' ASN . . . . . 0.491 ' CB ' ' CD ' ' A' ' 87' ' ' PRO . 21.7 p-10 -140.12 179.89 1.16 Allowed Pre-proline 0 C--N 1.329 -0.289 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.221 172.624 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 87' ' ' PRO . . . . . 0.491 ' CD ' ' CB ' ' A' ' 86' ' ' ASN . 75.6 Cg_exo -58.93 -26.09 79.79 Favored 'Trans proline' 0 N--CA 1.456 -0.704 0 C-N-CA 121.706 1.604 . . . . 0.0 111.249 -174.895 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 96.8 mm-40 -90.24 -4.96 56.87 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.173 -171.976 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 138.53 -172.96 22.78 Favored Glycine 0 CA--C 1.523 0.587 0 N-CA-C 111.234 -0.746 . . . . 0.0 111.234 179.468 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 41.4 ptt180 -144.3 157.52 44.23 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.724 0.297 . . . . 0.0 111.074 -177.751 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 9.2 p -159.83 141.29 4.33 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.196 -179.868 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 67.7 m -111.31 152.12 27.59 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.292 -171.587 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 93' ' ' CYS . . . . . . . . . . . . . 44.0 t -140.46 135.0 31.54 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.314 172.985 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 87.3 m -70.17 129.36 39.18 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.164 -172.98 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -103.98 55.88 0.6 Allowed Glycine 0 CA--C 1.523 0.583 0 N-CA-C 111.211 -0.756 . . . . 0.0 111.211 176.701 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 78.5 ttt180 -53.52 113.19 1.08 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.671 0.272 . . . . 0.0 111.369 -175.407 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 61.4 tp -121.96 109.94 15.22 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.351 -0.386 . . . . 0.0 111.128 172.302 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 98' ' ' MET . . . . . . . . . . . . . 99.0 mmm -96.28 145.19 25.79 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.11 -0.495 . . . . 0.0 111.089 179.866 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 59.2 t -123.48 129.89 74.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-O 121.083 0.468 . . . . 0.0 111.057 -176.757 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 99.5 mm-40 -95.09 144.76 25.48 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 116.07 -0.514 . . . . 0.0 111.26 179.608 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -76.11 144.98 40.34 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.035 -0.53 . . . . 0.0 111.278 -179.389 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 102' ' ' VAL . . . . . . . . . . . . . 81.9 t -125.09 117.75 50.92 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.309 -0.405 . . . . 0.0 111.24 179.228 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 99.7 m-20 -69.54 -22.8 63.53 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.16 -174.565 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 104' ' ' GLN . . . . . . . . . . . . . 99.8 mm-40 -89.13 -4.91 58.14 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.371 -178.747 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 22.7 tpp180 -69.9 108.87 4.18 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.069 -0.514 . . . . 0.0 111.297 179.063 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . -70.24 -17.11 73.81 Favored Glycine 0 CA--C 1.526 0.766 0 N-CA-C 111.205 -0.758 . . . . 0.0 111.205 -176.959 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 99.8 mtt180 -90.58 -3.36 57.62 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.721 0.296 . . . . 0.0 111.142 -179.591 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 43.4 t . . . . . 1 C--O 1.003 -11.91 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.206 -179.596 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.523 0.591 0 N-CA-C 111.214 -0.755 . . . . 0.0 111.214 . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . 0.409 ' O ' ' HB2' ' A' ' 3' ' ' SER . . . 65.31 -124.98 28.63 Favored Glycine 0 CA--C 1.522 0.528 0 N-CA-C 111.383 -0.687 . . . . 0.0 111.383 -179.966 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 3' ' ' SER . . . . . 0.409 ' HB2' ' O ' ' A' ' 2' ' ' GLY . 28.6 t 174.93 35.06 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.873 0.368 . . . . 0.0 111.226 -177.189 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 96.4 m-20 64.91 34.98 8.67 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.086 -179.452 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -154.94 154.93 33.36 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.187 -178.74 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 85.9 m -140.03 128.28 22.51 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.08 -0.509 . . . . 0.0 111.446 -177.719 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -64.94 147.91 98.03 Favored Pre-proline 0 C--N 1.326 -0.45 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.173 178.702 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 63.4 Cg_exo -54.66 133.02 54.88 Favored 'Trans proline' 0 N--CA 1.459 -0.537 0 C-N-CA 121.64 1.56 . . . . 0.0 111.248 179.868 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 89.2 t80 -150.93 123.92 8.72 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.282 -0.417 . . . . 0.0 111.149 176.86 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 68.7 m-85 -68.98 84.98 0.33 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.172 179.494 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 16.6 pt-20 -63.8 -21.7 66.55 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.168 174.65 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 66.4 ttp -131.58 112.09 12.31 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.217 167.469 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 98.8 mttt -96.02 165.75 12.1 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.334 -170.264 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 94.1 mt -84.39 170.77 13.24 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.295 177.198 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 64.1 pttt -134.93 178.78 6.76 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.253 176.299 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 18.1 t-160 -72.27 108.14 5.26 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.076 -0.511 . . . . 0.0 111.172 174.477 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 85.1 m-85 -95.17 143.72 26.37 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.31 -0.404 . . . . 0.0 111.268 -175.827 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 99.1 mttt -133.96 138.13 45.28 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.364 177.692 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 10.5 tp -148.93 150.66 13.81 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.366 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.142 -178.1 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 59.6 m-85 -79.22 148.18 32.32 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.318 174.403 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 88.5 tt0 -54.6 123.3 12.73 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.209 -177.326 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 99.97 -13.2 60.65 Favored Glycine 0 CA--C 1.522 0.502 0 N-CA-C 111.254 -0.739 . . . . 0.0 111.254 171.542 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 97.8 mmm -84.98 154.49 60.82 Favored Pre-proline 0 C--N 1.328 -0.331 0 CA-C-O 120.839 0.352 . . . . 0.0 111.345 -176.651 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 72.6 Cg_endo -76.29 154.08 36.26 Favored 'Trans proline' 0 C--N 1.328 -0.504 0 C-N-CA 121.632 1.554 . . . . 0.0 111.192 -179.098 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 57.7 t -134.13 125.4 48.09 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.068 178.069 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 91.4 m -127.19 124.67 39.53 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.249 -179.125 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 51.5 p90 -158.36 164.98 35.81 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.198 172.64 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 11.6 t -146.32 161.65 39.86 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.136 -171.366 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 21.1 t -141.08 142.4 34.15 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.137 -177.941 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 44.2 ttm180 -123.09 137.18 54.99 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.295 -0.412 . . . . 0.0 111.215 -175.099 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 67.5 t -124.49 125.17 69.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.264 -173.717 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -86.61 65.24 8.93 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.254 177.95 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -108.61 160.17 13.83 Favored Glycine 0 CA--C 1.521 0.45 0 N-CA-C 111.231 -0.748 . . . . 0.0 111.231 -178.116 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 34' ' ' ASN . . . . . 0.44 ' HA ' ' HA ' ' A' ' 35' ' ' PRO . 54.1 t-20 -155.03 108.04 2.29 Favored Pre-proline 0 CA--C 1.51 -0.567 0 CA-C-O 121.217 0.532 . . . . 0.0 110.988 178.541 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 35' ' ' PRO . . . . . 0.44 ' HA ' ' HA ' ' A' ' 34' ' ' ASN . 24.6 Cg_exo -74.53 168.98 75.45 Favored 'Cis proline' 0 N--CA 1.456 -0.687 0 C-N-CA 121.579 -2.259 . . . . 0.0 111.211 9.348 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 3.1 mptp? -60.01 115.8 14.57 Favored Pre-proline 0 C--N 1.331 -0.197 0 CA-C-N 116.004 -0.544 . . . . 0.0 111.059 -178.872 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 52.5 Cg_exo -59.06 150.85 70.49 Favored 'Trans proline' 0 N--CA 1.458 -0.613 0 C-N-CA 121.618 1.546 . . . . 0.0 111.246 -176.213 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 99.2 mttt -81.38 81.75 7.43 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.29 176.016 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 96.2 mt -59.87 123.68 12.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.094 -174.629 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 75.1 m-85 -117.63 144.95 44.69 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.244 174.32 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 41' ' ' TRP . . . . . . . . . . . . . 93.8 m95 -107.79 140.93 40.14 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.245 173.037 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 38.8 p90 -150.33 146.04 26.5 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.353 171.14 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 12.0 tmtt? -110.06 109.99 20.73 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.204 -173.083 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 89.5 m-20 53.79 33.23 16.48 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.144 -176.313 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 96.72 -0.24 60.94 Favored Glycine 0 CA--C 1.525 0.718 0 N-CA-C 111.026 -0.83 . . . . 0.0 111.026 176.673 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 96.9 mttt -95.09 100.33 12.17 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 120.747 0.308 . . . . 0.0 111.115 -178.512 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 66.3 tt0 -51.51 129.03 24.57 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.338 -0.392 . . . . 0.0 111.192 -178.024 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 94.4 mt -100.07 124.94 53.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.167 -179.331 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 30.3 t -87.84 133.03 38.45 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.269 174.296 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_exo -54.7 140.93 76.7 Favored 'Trans proline' 0 N--CA 1.457 -0.67 0 C-N-CA 121.683 1.589 . . . . 0.0 111.242 178.159 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 98.1 mttt 58.73 54.62 5.15 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.197 177.371 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 14.8 t -95.02 -162.19 0.93 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.231 178.488 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 99.6 m-20 -55.74 -45.83 77.94 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.29 -0.414 . . . . 0.0 111.168 -177.631 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 54' ' ' HIS . . . . . . . . . . . . . 99.4 m-70 -135.85 -4.93 2.2 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.11 -0.495 . . . . 0.0 111.206 179.565 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 55' ' ' TYR . . . . . . . . . . . . . 22.0 m-30 -107.38 95.5 5.75 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-O 121.131 0.491 . . . . 0.0 111.082 -173.437 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 98.0 m -99.07 124.51 44.13 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-N 116.059 -0.518 . . . . 0.0 111.11 179.751 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 96.2 mt -114.21 124.52 70.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.312 -0.404 . . . . 0.0 111.081 -179.312 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 99.2 mm-40 -103.84 133.77 48.26 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.133 173.813 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 99.6 mtt180 -116.0 105.79 13.04 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.367 -0.379 . . . . 0.0 111.173 -174.601 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 67.3 t0 -90.73 119.97 31.4 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.328 -0.397 . . . . 0.0 111.273 172.474 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 95.8 mt -70.14 -7.81 44.64 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.217 -170.576 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 96.8 m-20 -69.89 -16.96 63.32 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.322 -0.399 . . . . 0.0 111.014 176.804 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 120.51 22.68 3.03 Favored Glycine 0 CA--C 1.524 0.634 0 N-CA-C 111.024 -0.83 . . . . 0.0 111.024 179.249 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 35.1 m -125.53 142.84 51.29 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-O 120.844 0.354 . . . . 0.0 111.326 -179.145 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 65' ' ' CYS . . . . . . . . . . . . . 20.4 t -140.89 138.08 33.65 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.235 -0.438 . . . . 0.0 111.086 178.35 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 33.3 t -120.73 137.51 54.45 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.065 -0.516 . . . . 0.0 111.303 -174.62 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 64.9 tp -114.87 123.06 48.2 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.193 179.479 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 77.3 t60 -118.19 121.58 40.85 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.255 178.753 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 95.8 m -98.37 119.68 37.48 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.037 -0.529 . . . . 0.0 111.145 171.904 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 79.9 m -64.51 -45.11 88.65 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.277 -175.989 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -144.79 88.3 1.9 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.078 -0.51 . . . . 0.0 111.19 -176.626 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 47.6 t -76.48 107.25 8.62 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.016 -0.538 . . . . 0.0 111.203 -177.274 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 52.3 p -107.06 -179.73 4.02 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.209 -179.685 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 97.3 mt -61.69 -26.77 68.24 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.229 -178.188 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 98.8 m-20 -77.81 -17.81 57.05 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.099 176.132 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 69.0 m-20 -93.97 -13.97 26.44 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.218 178.639 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 57.1 t0 -56.83 127.29 30.93 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.203 174.855 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 161.62 -164.52 35.19 Favored Glycine 0 CA--C 1.525 0.698 0 N-CA-C 111.191 -0.764 . . . . 0.0 111.191 -179.736 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 74.2 m-80 -104.95 108.59 20.19 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-O 120.84 0.353 . . . . 0.0 111.227 -173.95 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 80' ' ' TYR . . . . . . . . . . . . . 52.8 m-85 -84.76 70.47 10.82 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.186 178.331 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 86.5 m -65.05 135.11 55.19 Favored 'General case' 0 C--O 1.234 0.261 0 CA-C-N 116.264 -0.425 . . . . 0.0 111.089 -172.938 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 2.7 tt -108.51 139.96 28.9 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.392 0 CA-C-O 120.968 0.413 . . . . 0.0 111.044 177.841 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 83' ' ' MET . . . . . . . . . . . . . 60.4 ttm -126.78 123.34 37.17 Favored 'General case' 0 C--N 1.332 -0.169 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.258 179.146 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -106.23 92.55 4.18 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.288 -0.415 . . . . 0.0 111.175 178.739 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -102.62 128.93 49.09 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.287 -173.934 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 86' ' ' ASN . . . . . 0.501 ' CB ' ' CD ' ' A' ' 87' ' ' PRO . 22.7 p-10 -141.45 -179.93 1.09 Allowed Pre-proline 0 C--N 1.326 -0.425 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.258 172.355 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 87' ' ' PRO . . . . . 0.501 ' CD ' ' CB ' ' A' ' 86' ' ' ASN . 71.5 Cg_exo -57.91 -25.82 71.52 Favored 'Trans proline' 0 N--CA 1.456 -0.699 0 C-N-CA 121.605 1.537 . . . . 0.0 111.418 -174.676 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 97.9 mm-40 -91.6 -5.11 54.49 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.029 -0.532 . . . . 0.0 111.083 -171.274 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 140.83 -169.15 25.02 Favored Glycine 0 CA--C 1.524 0.651 0 N-CA-C 111.27 -0.732 . . . . 0.0 111.27 -179.309 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 41.1 ptt180 -144.99 159.99 42.07 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.614 0.245 . . . . 0.0 111.224 -179.417 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 14.6 p -152.52 140.0 13.49 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.071 179.145 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 67.0 m -120.12 152.7 37.24 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.918 0.389 . . . . 0.0 111.369 -173.714 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 93' ' ' CYS . . . . . . . . . . . . . 45.5 t -147.42 139.83 24.6 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.284 175.671 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 86.5 m -77.71 127.27 32.18 Favored 'General case' 0 C--O 1.234 0.249 0 CA-C-N 116.302 -0.408 . . . . 0.0 111.321 -173.378 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -99.64 55.44 0.91 Allowed Glycine 0 CA--C 1.524 0.612 0 N-CA-C 111.166 -0.774 . . . . 0.0 111.166 177.355 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 79.9 ttt180 -52.35 115.34 1.7 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.642 0.258 . . . . 0.0 111.252 -177.639 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 61.3 tp -124.47 110.03 14.0 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.222 172.609 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 98' ' ' MET . . . . . . . . . . . . . 98.9 mmm -97.61 141.56 30.49 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.204 -179.951 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 76.3 t -117.22 128.71 74.5 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.264 -0.426 . . . . 0.0 111.205 -176.238 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 99.2 mm-40 -89.85 125.8 35.46 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.241 177.862 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -63.25 135.95 57.4 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.215 -177.592 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 102' ' ' VAL . . . . . . . . . . . . . 81.9 t -120.55 111.1 30.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.195 178.263 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 99.6 m-20 -70.34 -20.11 63.01 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.144 -175.818 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 104' ' ' GLN . . . . . . . . . . . . . 99.8 mm-40 -87.4 -4.55 59.03 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.336 -0.393 . . . . 0.0 111.292 -179.082 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 24.6 tpp180 -70.0 108.34 4.0 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.062 -0.517 . . . . 0.0 111.215 179.769 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . -69.82 -16.89 72.76 Favored Glycine 0 CA--C 1.524 0.645 0 N-CA-C 111.35 -0.7 . . . . 0.0 111.35 -177.215 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 99.9 mtt180 -90.7 -1.78 57.85 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.819 0.342 . . . . 0.0 111.2 -179.72 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 42.7 t . . . . . 1 C--O 0.999 -12.085 0 CA-C-N 116.291 -0.413 . . . . 0.0 111.249 -179.945 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.522 0.514 0 N-CA-C 111.22 -0.752 . . . . 0.0 111.22 . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 94.72 -142.26 15.96 Favored Glycine 0 CA--C 1.522 0.524 0 N-CA-C 111.341 -0.704 . . . . 0.0 111.341 179.539 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 91.8 p -147.28 173.6 12.42 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-O 120.589 0.233 . . . . 0.0 111.175 -179.156 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 96.5 m-20 64.82 34.99 8.88 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.377 -0.374 . . . . 0.0 111.168 -178.737 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -164.77 169.41 16.78 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.035 -0.529 . . . . 0.0 111.186 -178.155 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 88.6 m -123.81 119.2 29.01 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.266 -179.636 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -64.82 144.97 98.99 Favored Pre-proline 0 C--N 1.325 -0.474 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.187 -179.885 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 69.5 Cg_exo -54.84 129.71 36.65 Favored 'Trans proline' 0 N--CA 1.458 -0.583 0 C-N-CA 121.832 1.688 . . . . 0.0 111.236 -179.88 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 90.1 t80 -153.44 123.43 6.91 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.284 -0.416 . . . . 0.0 111.139 172.832 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 35.4 m-85 -70.09 93.32 0.8 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.083 -0.508 . . . . 0.0 111.143 -175.798 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 17.0 pt-20 -63.06 -20.08 65.0 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.15 174.423 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 66.6 ttp -136.1 101.5 4.73 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.143 171.9 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 98.8 mttt -88.12 167.74 13.38 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.22 -172.632 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 95.7 mt -79.16 154.84 28.99 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.209 176.949 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 97.5 mttt -115.01 179.76 3.86 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.087 -0.506 . . . . 0.0 111.247 177.009 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 19.9 t-160 -74.81 110.04 8.77 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.101 -0.499 . . . . 0.0 111.161 173.498 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 69.5 m-85 -101.58 147.44 26.4 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.331 -0.395 . . . . 0.0 111.16 -174.8 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 98.9 mttt -135.07 140.01 45.21 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.244 177.285 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 10.7 tp -150.0 149.56 14.44 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.369 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.035 -178.52 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 56.2 m-85 -77.43 145.93 36.85 Favored 'General case' 0 C--N 1.332 -0.179 0 CA-C-N 116.134 -0.484 . . . . 0.0 111.284 177.943 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 88.4 tt0 -55.43 124.25 16.56 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.2 -176.5 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 94.92 -10.53 70.21 Favored Glycine 0 CA--C 1.524 0.596 0 N-CA-C 111.213 -0.755 . . . . 0.0 111.213 172.616 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 95.9 mmm -90.55 153.12 45.83 Favored Pre-proline 0 C--N 1.327 -0.397 0 CA-C-O 120.895 0.378 . . . . 0.0 111.263 -176.148 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 72.1 Cg_endo -74.74 152.55 42.3 Favored 'Trans proline' 0 C--N 1.329 -0.497 0 C-N-CA 121.676 1.584 . . . . 0.0 111.208 178.489 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 8.8 p -152.63 134.23 5.38 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.173 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.129 176.6 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 82.0 m -119.86 135.32 54.92 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.012 -178.687 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 26.9 p90 -149.99 154.74 38.72 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.128 174.794 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 12.6 t -147.32 162.19 39.47 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.088 -0.506 . . . . 0.0 111.171 -168.384 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 34.1 t -147.44 147.78 30.58 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.303 -0.408 . . . . 0.0 111.186 -177.949 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 43.4 ttm180 -126.22 139.95 52.93 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.293 -0.412 . . . . 0.0 111.16 -175.809 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 10.6 p -124.81 133.62 68.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.195 -175.868 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -92.79 65.12 4.16 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.092 -0.504 . . . . 0.0 111.241 177.573 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -108.09 158.93 14.6 Favored Glycine 0 CA--C 1.521 0.435 0 N-CA-C 111.242 -0.743 . . . . 0.0 111.242 -176.649 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 34' ' ' ASN . . . . . 0.442 ' HA ' ' C ' ' A' ' 35' ' ' PRO . 54.1 t-20 -154.88 108.89 2.32 Favored Pre-proline 0 CA--C 1.51 -0.558 0 CA-C-O 121.155 0.503 . . . . 0.0 110.986 177.18 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 35' ' ' PRO . . . . . 0.442 ' C ' ' HA ' ' A' ' 34' ' ' ASN . 24.3 Cg_exo -74.54 165.9 84.3 Favored 'Cis proline' 0 N--CA 1.456 -0.701 0 C-N-CA 121.512 -2.287 . . . . 0.0 111.299 8.909 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . 0.418 ' HA ' ' HD3' ' A' ' 37' ' ' PRO . 4.6 mptp? -59.6 115.76 13.91 Favored Pre-proline 0 C--N 1.332 -0.181 0 CA-C-N 115.988 -0.551 . . . . 0.0 111.035 -178.724 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 37' ' ' PRO . . . . . 0.418 ' HD3' ' HA ' ' A' ' 36' ' ' LYS . 50.5 Cg_exo -59.92 152.94 60.77 Favored 'Trans proline' 0 N--CA 1.459 -0.512 0 C-N-CA 121.594 1.53 . . . . 0.0 111.182 -176.111 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 99.7 mttt -82.59 70.11 9.5 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.502 177.29 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 77.8 mt -41.96 125.12 0.57 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.222 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.049 -175.633 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 77.6 m-85 -112.04 144.82 40.76 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.234 173.653 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 41' ' ' TRP . . . . . . . . . . . . . 93.6 m95 -109.48 138.81 45.28 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.179 172.203 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 34.7 p90 -152.45 145.86 24.83 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.073 -0.512 . . . . 0.0 111.319 170.992 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 12.1 tmtt? -109.92 109.95 20.73 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.284 -0.416 . . . . 0.0 111.295 -174.522 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 87.9 m-20 53.35 33.19 15.18 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.132 -175.557 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 96.71 0.33 60.69 Favored Glycine 0 CA--C 1.524 0.649 0 N-CA-C 111.082 -0.807 . . . . 0.0 111.082 176.525 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 97.4 mttt -94.93 101.57 13.35 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.872 0.368 . . . . 0.0 111.258 -178.695 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 66.3 tt0 -51.7 129.95 27.35 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.288 -0.414 . . . . 0.0 111.285 -177.265 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 96.1 mt -101.99 125.06 56.21 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.197 -179.557 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 49' ' ' SER . . . . . 0.403 ' HA ' ' HD3' ' A' ' 50' ' ' PRO . 30.3 t -88.75 135.0 32.69 Favored Pre-proline 0 C--N 1.327 -0.41 0 CA-C-N 116.295 -0.412 . . . . 0.0 111.176 175.516 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 50' ' ' PRO . . . . . 0.403 ' HD3' ' HA ' ' A' ' 49' ' ' SER . 53.1 Cg_exo -55.04 138.22 78.11 Favored 'Trans proline' 0 N--CA 1.46 -0.471 0 C-N-CA 121.565 1.51 . . . . 0.0 111.2 178.348 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 97.8 mttt 58.84 57.04 3.8 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.079 -0.509 . . . . 0.0 111.226 177.722 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 13.7 t -94.94 -161.53 0.87 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.228 178.48 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 99.6 m-20 -55.21 -45.34 75.9 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.304 -178.038 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 54' ' ' HIS . . . . . . . . . . . . . 99.4 m-70 -136.22 -5.13 2.1 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.433 179.291 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 55' ' ' TYR . . . . . . . . . . . . . 22.3 m-30 -106.26 94.95 5.43 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.103 -0.499 . . . . 0.0 111.108 -172.935 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 96.8 m -98.95 124.14 43.71 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.166 -179.734 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 96.6 mt -111.14 125.08 68.45 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.236 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.149 -177.765 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 99.2 mm-40 -103.92 136.6 43.27 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.267 172.374 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 62.2 mtp180 -121.18 97.7 5.64 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.322 -0.399 . . . . 0.0 111.232 -172.505 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 67.5 t0 -84.82 120.22 26.2 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.199 173.457 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 96.0 mt -71.54 -7.06 45.24 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.084 -0.507 . . . . 0.0 111.117 -170.187 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 96.4 m-20 -70.08 -16.54 63.14 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.372 -0.376 . . . . 0.0 111.066 176.414 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 120.66 23.37 2.83 Favored Glycine 0 CA--C 1.524 0.631 0 N-CA-C 111.041 -0.824 . . . . 0.0 111.041 179.044 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 47.2 m -126.3 139.93 52.92 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.83 0.348 . . . . 0.0 111.226 -179.424 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 65' ' ' CYS . . . . . . . . . . . . . 11.9 t -140.2 140.06 35.78 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.153 178.026 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 40.0 t -125.48 137.13 53.96 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.164 -174.104 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 66.9 tp -114.32 119.97 38.78 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.178 177.142 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 63.1 t60 -109.79 128.85 55.58 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.335 177.608 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 91.9 m -103.63 118.55 36.98 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.147 173.117 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 83.1 m -66.19 -43.3 87.22 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.236 -175.937 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -142.91 85.83 1.9 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.13 -176.762 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 46.8 t -78.37 106.43 10.29 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.039 -0.528 . . . . 0.0 111.17 -177.159 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 54.4 p -104.96 179.32 4.3 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.193 -179.767 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 97.0 mt -61.86 -26.18 67.99 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.048 -0.524 . . . . 0.0 111.257 -178.672 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 98.8 m-20 -76.85 -19.16 57.82 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.058 -0.519 . . . . 0.0 111.157 175.178 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 67.8 m-20 -93.14 -16.07 25.31 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.11 178.085 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 56.8 t0 -54.96 127.98 31.33 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.195 174.289 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 161.19 -163.94 34.63 Favored Glycine 0 CA--C 1.523 0.591 0 N-CA-C 111.247 -0.741 . . . . 0.0 111.247 -179.813 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 74.5 m-80 -104.94 108.12 19.46 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.89 0.376 . . . . 0.0 111.166 -174.183 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 80' ' ' TYR . . . . . . . . . . . . . 51.2 m-85 -84.32 69.92 10.54 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.088 -0.505 . . . . 0.0 111.264 178.072 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 88.3 m -64.08 133.93 53.96 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.164 -172.53 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 7.8 tt -107.74 140.04 27.53 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.319 -0.401 . . . . 0.0 111.19 177.789 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 83' ' ' MET . . . . . . . . . . . . . 67.1 ttp -131.38 117.06 18.36 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.373 -0.376 . . . . 0.0 111.224 179.872 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -92.39 85.32 5.34 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.343 -0.39 . . . . 0.0 111.106 177.12 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -95.13 131.64 40.93 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.321 -174.017 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 86' ' ' ASN . . . . . 0.467 ' CB ' ' CD ' ' A' ' 87' ' ' PRO . 26.2 p30 -146.6 178.23 1.51 Allowed Pre-proline 0 C--N 1.328 -0.365 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.142 171.93 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 87' ' ' PRO . . . . . 0.467 ' CD ' ' CB ' ' A' ' 86' ' ' ASN . 73.9 Cg_exo -59.01 -25.03 76.22 Favored 'Trans proline' 0 N--CA 1.459 -0.533 0 C-N-CA 121.743 1.629 . . . . 0.0 111.195 -175.073 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 93.6 mm-40 -93.5 -5.05 50.0 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.081 -0.509 . . . . 0.0 111.279 -169.977 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 145.35 -166.86 27.57 Favored Glycine 0 CA--C 1.522 0.505 0 N-CA-C 111.264 -0.735 . . . . 0.0 111.264 -178.22 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 41.2 ptt180 -151.36 159.94 44.02 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-O 120.63 0.252 . . . . 0.0 111.148 179.035 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 11.5 p -147.14 137.04 16.91 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.394 0 CA-C-N 116.305 -0.407 . . . . 0.0 111.279 174.819 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 70.0 m -118.79 151.51 37.91 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.264 -0.425 . . . . 0.0 111.303 -174.152 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 93' ' ' CYS . . . . . . . . . . . . . 53.8 t -150.2 135.53 18.04 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.313 -0.403 . . . . 0.0 111.305 176.087 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 86.3 m -71.17 129.83 39.91 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.306 -175.35 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -102.13 55.62 0.7 Allowed Glycine 0 CA--C 1.524 0.604 0 N-CA-C 111.198 -0.761 . . . . 0.0 111.198 177.792 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 79.6 ttt180 -51.66 114.21 1.2 Allowed 'General case' 0 C--N 1.326 -0.433 0 CA-C-O 120.706 0.288 . . . . 0.0 111.246 -177.511 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 65.2 tp -123.5 110.46 15.1 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.32 -0.4 . . . . 0.0 111.214 171.861 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 98' ' ' MET . . . . . . . . . . . . . 98.8 mmm -97.26 140.86 31.11 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.238 179.991 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 98.9 t -115.26 126.49 72.84 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.294 -0.412 . . . . 0.0 111.312 -176.916 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 63.3 tt0 -100.06 122.76 43.43 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.097 179.1 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -60.31 111.2 1.46 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.148 179.985 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 102' ' ' VAL . . . . . 0.676 HG13 ' O ' ' A' ' 102' ' ' VAL . 8.9 p -103.48 96.16 4.4 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.154 -179.775 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 99.3 m-20 -77.89 -9.8 59.25 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.099 -0.5 . . . . 0.0 111.159 -178.011 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 104' ' ' GLN . . . . . . . . . . . . . 99.7 mm-40 -85.1 -10.4 56.86 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.323 -179.528 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 25.0 tpt180 -99.6 116.37 31.57 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.042 -0.526 . . . . 0.0 111.205 -179.19 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . -73.05 -19.82 79.75 Favored Glycine 0 CA--C 1.525 0.703 0 N-CA-C 111.267 -0.733 . . . . 0.0 111.267 -178.564 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 99.9 mtt180 -90.63 2.2 56.1 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.872 0.368 . . . . 0.0 111.209 178.967 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 41.2 t . . . . . 1 C--O 1.002 -11.965 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.223 179.437 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.523 0.533 0 N-CA-C 111.25 -0.74 . . . . 0.0 111.25 . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 64.97 -125.02 29.57 Favored Glycine 0 CA--C 1.522 0.482 0 N-CA-C 111.343 -0.703 . . . . 0.0 111.343 -179.95 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 40.7 t -179.32 75.04 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.698 0.285 . . . . 0.0 111.297 -177.771 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 62.6 t30 54.92 45.05 27.31 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.154 -179.18 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -154.98 155.04 33.49 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.012 -0.54 . . . . 0.0 111.108 -178.132 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 87.9 m -138.77 128.97 25.54 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.086 -0.507 . . . . 0.0 111.348 -177.104 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -63.16 150.67 88.35 Favored Pre-proline 0 C--N 1.325 -0.476 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.167 178.013 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 33.2 Cg_endo -64.94 136.46 48.72 Favored 'Trans proline' 0 N--CA 1.458 -0.594 0 C-N-CA 121.679 1.586 . . . . 0.0 111.205 -178.185 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 92.1 t80 -150.53 122.11 7.99 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.266 -0.425 . . . . 0.0 111.146 179.48 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 89.7 m-85 -70.88 83.66 0.66 Allowed 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.13 -0.487 . . . . 0.0 111.157 179.349 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 21.6 pt-20 -69.48 -15.92 63.36 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.046 -0.525 . . . . 0.0 111.218 177.25 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 65.6 ttp -138.62 107.2 5.87 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.078 -0.51 . . . . 0.0 111.214 167.336 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 99.2 mttt -92.06 165.59 13.1 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.275 -0.421 . . . . 0.0 111.372 -173.155 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 96.0 mt -81.0 149.6 29.23 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.136 174.139 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 96.5 mttt -107.31 168.59 9.12 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.074 -0.512 . . . . 0.0 111.156 179.994 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 22.9 t-160 -70.77 110.97 5.87 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.127 171.57 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 71.0 m-85 -99.99 143.19 30.49 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.374 -0.376 . . . . 0.0 111.185 -173.454 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 98.7 mttt -122.34 102.09 7.9 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.202 -179.565 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 19' ' ' ILE . . . . . 0.434 ' O ' ' HA ' ' A' ' 99' ' ' VAL . 42.7 mm -121.97 141.39 42.59 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.367 0 CA-C-N 116.099 -0.5 . . . . 0.0 111.218 -172.106 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 43.6 m-85 -73.61 147.05 44.17 Favored 'General case' 0 CA--C 1.519 -0.219 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.289 179.829 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 79.9 tt0 -55.03 120.14 6.48 Favored 'General case' 0 C--N 1.332 -0.155 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.271 -178.94 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 96.54 -12.31 66.34 Favored Glycine 0 CA--C 1.524 0.619 0 N-CA-C 111.127 -0.789 . . . . 0.0 111.127 175.44 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 24.4 ttt -80.05 134.59 55.97 Favored Pre-proline 0 C--N 1.328 -0.359 0 CA-C-O 120.812 0.339 . . . . 0.0 111.341 -178.464 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 60.4 Cg_endo -69.27 148.65 68.71 Favored 'Trans proline' 0 C--N 1.328 -0.51 0 C-N-CA 121.523 1.482 . . . . 0.0 111.213 176.394 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 7.1 p -146.67 134.59 15.22 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.221 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.093 179.325 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 85.7 m -115.77 130.12 56.72 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.214 174.86 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 30.9 p90 -141.19 154.89 46.06 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.081 -0.509 . . . . 0.0 111.107 176.676 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 10.7 t -148.27 155.81 41.78 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.242 -168.253 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 47.4 t -145.0 141.66 29.13 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.311 -0.404 . . . . 0.0 111.144 -176.113 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 58.0 ttt85 -120.01 132.19 55.39 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.08 -172.777 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 98.5 t -120.58 126.28 75.07 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.377 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.302 -175.876 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -87.38 65.12 8.56 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.059 -0.519 . . . . 0.0 111.289 177.606 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -107.11 158.99 14.84 Favored Glycine 0 CA--C 1.523 0.582 0 N-CA-C 111.151 -0.78 . . . . 0.0 111.151 -177.367 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 34' ' ' ASN . . . . . 0.442 ' HA ' ' HA ' ' A' ' 35' ' ' PRO . 54.2 t-20 -154.94 108.19 2.31 Favored Pre-proline 0 CA--C 1.511 -0.554 0 CA-C-O 121.149 0.5 . . . . 0.0 110.977 177.069 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 35' ' ' PRO . . . . . 0.442 ' HA ' ' HA ' ' A' ' 34' ' ' ASN . 24.0 Cg_exo -74.31 166.4 82.76 Favored 'Cis proline' 0 N--CA 1.455 -0.768 0 C-N-CA 121.749 -2.188 . . . . 0.0 111.323 8.443 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 5.0 mptp? -59.14 116.68 16.8 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.068 179.536 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 77.3 Cg_exo -55.85 147.07 64.0 Favored 'Trans proline' 0 C--N 1.328 -0.526 0 C-N-CA 121.618 1.545 . . . . 0.0 111.218 -176.632 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 98.7 mttt -73.8 69.66 1.37 Allowed 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.383 175.279 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 39' ' ' ILE . . . . . 0.404 HG13 ' SG ' ' A' ' 65' ' ' CYS . 44.0 mm -43.05 120.75 0.4 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.183 -170.517 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 82.4 m-85 -107.16 140.48 39.95 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.113 176.102 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 41' ' ' TRP . . . . . . . . . . . . . 91.7 m95 -113.86 135.17 54.26 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.061 -0.518 . . . . 0.0 111.219 174.999 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 33.7 p90 -153.24 146.21 24.52 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.088 -0.505 . . . . 0.0 111.242 173.147 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 12.6 tmtt? -110.01 110.0 20.77 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.182 -174.133 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 90.0 m-20 54.72 32.8 18.13 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.246 -0.433 . . . . 0.0 111.091 -176.257 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 95.85 -0.05 62.49 Favored Glycine 0 CA--C 1.525 0.706 0 N-CA-C 111.118 -0.793 . . . . 0.0 111.118 176.936 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 97.0 mttt -95.1 100.92 12.66 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.874 0.368 . . . . 0.0 111.19 -178.797 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 66.4 tt0 -50.92 128.72 21.95 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.25 -178.067 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 95.6 mt -98.45 125.06 51.88 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.381 0 CA-C-N 116.294 -0.412 . . . . 0.0 111.157 -178.452 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 31.1 t -84.15 131.07 52.08 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-N 116.266 -0.425 . . . . 0.0 111.131 174.161 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_exo -54.87 136.17 71.08 Favored 'Trans proline' 0 N--CA 1.457 -0.651 0 C-N-CA 121.849 1.699 . . . . 0.0 111.121 178.594 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 97.9 mttt 59.02 57.66 3.45 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-O 120.944 0.402 . . . . 0.0 111.183 178.372 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 14.9 t -94.96 -161.49 0.86 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.294 178.812 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 99.5 m-20 -55.03 -45.49 75.18 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.241 -177.941 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 54' ' ' HIS . . . . . . . . . . . . . 99.5 m-70 -136.73 -5.09 1.97 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.444 179.979 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 55' ' ' TYR . . . . . . . . . . . . . 22.0 m-30 -107.34 95.84 5.99 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.144 -173.007 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 97.1 m -99.12 118.61 36.25 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.164 -178.846 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 97.9 mt -102.88 130.54 52.8 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.313 -0.403 . . . . 0.0 111.185 179.179 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 70.4 tp60 -130.05 109.93 11.23 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.242 174.034 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 83.5 mtm180 -104.47 114.68 29.07 Favored 'General case' 0 C--O 1.235 0.301 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.16 -177.284 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 65.0 t0 -87.13 130.57 34.47 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 116.287 -0.415 . . . . 0.0 111.25 174.372 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 95.1 mt -65.82 -14.4 61.33 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.091 -0.504 . . . . 0.0 111.041 -176.324 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 30.3 t70 -61.17 -32.53 72.26 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.326 -0.397 . . . . 0.0 111.075 176.532 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 132.39 0.32 4.56 Favored Glycine 0 CA--C 1.525 0.696 0 N-CA-C 110.977 -0.849 . . . . 0.0 110.977 177.098 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 97.4 m -107.82 122.82 47.56 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.633 0.254 . . . . 0.0 111.318 177.73 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 65' ' ' CYS . . . . . 0.404 ' SG ' HG13 ' A' ' 39' ' ' ILE . 84.9 m -123.33 140.85 52.59 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.254 178.285 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 95.0 p -124.85 149.28 47.64 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.186 -173.063 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 57.6 tp -127.6 123.98 36.99 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.069 -0.514 . . . . 0.0 111.13 173.401 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 68.6 t60 -108.38 129.92 55.23 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.223 -179.662 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 99.2 m -104.64 114.71 29.1 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.053 -0.521 . . . . 0.0 111.154 172.102 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 82.6 m -67.41 -39.95 85.54 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.202 -175.725 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -137.46 87.32 2.26 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.298 -0.41 . . . . 0.0 111.104 -177.198 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 37.4 t -81.21 93.46 6.49 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.185 -178.14 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 43.8 p -101.08 178.1 4.76 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.127 -179.64 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 97.0 mt -62.29 -25.27 67.77 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.262 -177.763 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 98.6 m-20 -78.49 -19.31 53.3 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.203 175.349 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 68.1 m-20 -94.57 -12.77 26.86 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.206 178.511 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 57.9 t0 -55.42 128.94 36.67 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.227 172.852 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 160.55 -162.9 33.73 Favored Glycine 0 CA--C 1.524 0.598 0 N-CA-C 111.148 -0.781 . . . . 0.0 111.148 179.678 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 74.4 m-20 -107.21 106.32 16.73 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 121.03 0.443 . . . . 0.0 111.105 -173.911 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 80' ' ' TYR . . . . . . . . . . . . . 42.5 m-85 -81.71 70.8 8.68 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.001 -0.545 . . . . 0.0 111.279 177.531 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 87.7 m -65.13 134.72 54.37 Favored 'General case' 0 C--O 1.233 0.237 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.114 -170.654 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 1.4 tt -110.0 138.26 38.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.141 176.172 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 83' ' ' MET . . . . . . . . . . . . . 65.6 ttp -122.0 120.69 35.12 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.293 -176.899 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -91.66 82.52 5.27 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.078 177.153 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -95.06 118.24 31.53 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.291 -0.413 . . . . 0.0 111.197 -177.309 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 86' ' ' ASN . . . . . 0.502 ' CB ' ' CD ' ' A' ' 87' ' ' PRO . 24.8 p-10 -141.27 -179.98 1.1 Allowed Pre-proline 0 C--N 1.327 -0.376 0 CA-C-N 116.009 -0.541 . . . . 0.0 111.01 174.584 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 87' ' ' PRO . . . . . 0.502 ' CD ' ' CB ' ' A' ' 86' ' ' ASN . 75.8 Cg_exo -59.01 -24.9 75.6 Favored 'Trans proline' 0 N--CA 1.457 -0.666 0 C-N-CA 121.615 1.543 . . . . 0.0 111.307 -174.827 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 97.6 mm-40 -92.25 1.88 56.95 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.188 -172.846 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 130.61 -174.97 19.56 Favored Glycine 0 CA--C 1.522 0.519 0 N-CA-C 111.328 -0.709 . . . . 0.0 111.328 178.595 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 40.5 ptt180 -140.88 150.06 42.73 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.715 0.293 . . . . 0.0 111.237 -177.715 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 7.2 p -154.31 139.95 11.01 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.379 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.143 178.908 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 96.6 p -109.26 156.16 20.26 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.29 -0.414 . . . . 0.0 111.272 -172.399 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 93' ' ' CYS . . . . . . . . . . . . . 43.0 t -141.87 139.86 32.74 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.311 172.859 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 88.2 m -80.6 114.41 19.47 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.413 -170.4 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -85.03 65.85 3.97 Favored Glycine 0 CA--C 1.523 0.554 0 N-CA-C 111.301 -0.719 . . . . 0.0 111.301 174.712 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 80.7 ttt180 -64.89 107.94 1.62 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.603 0.239 . . . . 0.0 111.282 -174.004 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 56.5 tp -116.41 109.88 17.92 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.407 -0.36 . . . . 0.0 111.282 174.751 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 98' ' ' MET . . . . . . . . . . . . . 65.4 ttp -101.94 134.11 45.67 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.11 -179.324 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 99' ' ' VAL . . . . . 0.434 ' HA ' ' O ' ' A' ' 19' ' ' ILE . 95.0 t -110.58 129.87 64.93 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.219 0 CA-C-N 116.053 -0.521 . . . . 0.0 111.265 -174.353 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 65.0 tt0 -105.88 129.69 53.99 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.085 -0.507 . . . . 0.0 111.265 178.141 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -59.08 126.87 29.46 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.188 178.427 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 102' ' ' VAL . . . . . 0.609 HG13 ' O ' ' A' ' 102' ' ' VAL . 7.4 p -100.02 98.08 6.57 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.207 -178.473 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 99.5 m-20 -73.61 -12.22 60.68 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.203 -176.191 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 104' ' ' GLN . . . . . . . . . . . . . 89.0 mt-30 -72.09 -22.74 61.31 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.441 177.203 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 60.1 ttp180 -60.05 115.03 3.15 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.01 -0.541 . . . . 0.0 111.359 178.74 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . -69.78 -17.13 72.91 Favored Glycine 0 CA--C 1.524 0.648 0 N-CA-C 111.415 -0.674 . . . . 0.0 111.415 -178.218 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 99.9 mtt180 -89.93 -2.43 58.17 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.674 0.273 . . . . 0.0 111.107 179.833 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 42.5 t . . . . . 1 C--O 0.999 -12.102 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.244 179.512 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.523 0.577 0 N-CA-C 111.164 -0.774 . . . . 0.0 111.164 . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 65.03 -125.4 30.0 Favored Glycine 0 CA--C 1.522 0.512 0 N-CA-C 111.46 -0.656 . . . . 0.0 111.46 -179.827 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 95.4 p -172.87 -27.55 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 CA-C-O 120.692 0.282 . . . . 0.0 111.263 -177.545 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 96.3 m-20 63.94 34.85 11.25 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-O 120.971 0.415 . . . . 0.0 111.298 -178.248 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -156.32 154.99 31.49 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 115.993 -0.549 . . . . 0.0 111.179 -179.169 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 83.4 m -140.06 129.0 23.43 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.218 -177.273 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -62.62 151.37 84.04 Favored Pre-proline 0 C--N 1.327 -0.386 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.185 177.963 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 33.9 Cg_endo -65.19 136.19 46.6 Favored 'Trans proline' 0 N--CA 1.459 -0.524 0 C-N-CA 121.703 1.602 . . . . 0.0 111.134 -178.167 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 90.3 t80 -151.15 122.59 7.88 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.311 -0.404 . . . . 0.0 111.23 179.996 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 84.6 m-85 -70.49 84.16 0.59 Allowed 'General case' 0 C--N 1.332 -0.185 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.184 179.955 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 21.1 pt-20 -68.63 -15.17 63.44 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.188 176.816 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 66.0 ttp -137.15 102.62 4.88 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.214 166.986 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 98.9 mttt -87.57 168.77 12.76 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.176 -173.196 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 94.9 mt -82.72 150.27 26.81 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.194 176.713 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 97.0 mttt -104.83 166.21 10.54 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.353 -0.385 . . . . 0.0 111.209 176.185 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 19.3 t-160 -66.79 110.23 3.19 Favored 'General case' 0 C--O 1.234 0.268 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.061 172.132 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 60.7 m-85 -100.57 145.8 27.9 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 116.44 -0.345 . . . . 0.0 111.284 -173.98 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 98.9 mttt -135.69 139.3 43.57 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.168 176.687 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 19' ' ' ILE . . . . . 0.4 HG13 ' N ' ' A' ' 20' ' ' PHE . 9.5 tp -148.3 152.33 12.56 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-N 116.099 -0.5 . . . . 0.0 111.121 -177.623 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 20' ' ' PHE . . . . . 0.4 ' N ' HG13 ' A' ' 19' ' ' ILE . 47.2 m-85 -79.66 145.95 32.73 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.214 172.783 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 87.4 tt0 -55.01 125.07 18.87 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.272 -176.399 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 104.17 -17.79 47.16 Favored Glycine 0 CA--C 1.524 0.618 0 N-CA-C 111.221 -0.752 . . . . 0.0 111.221 172.673 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 97.7 mmm -83.33 152.72 64.96 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 120.686 0.279 . . . . 0.0 111.414 -175.385 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 72.1 Cg_endo -74.91 152.41 41.2 Favored 'Trans proline' 0 C--N 1.327 -0.586 0 C-N-CA 121.796 1.664 . . . . 0.0 111.218 178.61 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 42.1 t -136.05 125.51 39.68 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.116 179.354 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 89.7 m -117.92 126.99 53.41 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.151 178.604 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 29.8 p90 -151.91 155.71 38.64 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.21 175.921 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 10.4 t -149.62 158.18 43.93 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.082 -171.679 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 15.4 t -140.9 144.16 35.07 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.122 -177.119 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 58.2 ttt85 -122.31 133.75 54.67 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.358 -0.383 . . . . 0.0 111.169 -175.121 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 61.0 t -121.89 125.75 73.63 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.309 -173.969 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -88.02 65.4 8.21 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.121 -0.491 . . . . 0.0 111.312 177.296 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -107.45 160.48 14.05 Favored Glycine 0 CA--C 1.521 0.446 0 N-CA-C 111.325 -0.71 . . . . 0.0 111.325 -177.597 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 34' ' ' ASN . . . . . 0.439 ' HA ' ' HA ' ' A' ' 35' ' ' PRO . 54.1 t-20 -154.87 107.43 2.32 Favored Pre-proline 0 CA--C 1.51 -0.56 0 CA-C-O 121.254 0.55 . . . . 0.0 110.982 177.069 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 35' ' ' PRO . . . . . 0.439 ' HA ' ' HA ' ' A' ' 34' ' ' ASN . 24.9 Cg_exo -74.38 166.57 82.37 Favored 'Cis proline' 0 N--CA 1.456 -0.678 0 C-N-CA 121.525 -2.281 . . . . 0.0 111.279 9.064 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 4.8 mptp? -59.39 116.32 15.83 Favored Pre-proline 0 C--N 1.331 -0.224 0 CA-C-N 116.005 -0.543 . . . . 0.0 111.055 179.384 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 64.1 Cg_exo -57.12 151.21 52.15 Favored 'Trans proline' 0 N--CA 1.459 -0.555 0 C-N-CA 121.785 1.657 . . . . 0.0 111.095 -176.342 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 99.6 mttt -79.43 67.02 5.05 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.093 -0.503 . . . . 0.0 111.415 175.351 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 84.9 mt -42.02 122.45 0.42 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.246 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.128 -171.617 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 80.7 m-85 -109.63 145.34 36.62 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.076 -0.511 . . . . 0.0 111.253 175.944 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 41' ' ' TRP . . . . . . . . . . . . . 94.5 m95 -114.66 139.79 49.36 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.213 173.934 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 35.8 p90 -153.36 145.58 23.86 Favored 'General case' 0 C--N 1.333 -0.128 0 CA-C-N 116.099 -0.5 . . . . 0.0 111.171 170.801 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 12.4 tmtt? -109.93 109.98 20.77 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.064 -0.516 . . . . 0.0 111.101 -174.301 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 93.5 m-20 54.05 33.25 17.22 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.178 -176.08 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 95.58 1.14 62.24 Favored Glycine 0 CA--C 1.527 0.794 0 N-CA-C 111.171 -0.772 . . . . 0.0 111.171 176.662 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 97.0 mttt -94.92 100.72 12.53 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.955 0.407 . . . . 0.0 111.204 -179.277 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 66.3 tt0 -51.64 129.68 26.5 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.241 -177.527 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 96.5 mt -102.09 124.62 56.08 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.229 0 CA-C-N 116.097 -0.501 . . . . 0.0 111.256 -179.141 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 49' ' ' SER . . . . . 0.414 ' HA ' ' HD3' ' A' ' 50' ' ' PRO . 30.0 t -90.43 137.24 27.56 Favored Pre-proline 0 C--N 1.327 -0.4 0 CA-C-N 116.49 -0.323 . . . . 0.0 111.246 174.465 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 50' ' ' PRO . . . . . 0.414 ' HD3' ' HA ' ' A' ' 49' ' ' SER . 53.3 Cg_exo -54.59 138.5 75.22 Favored 'Trans proline' 0 N--CA 1.456 -0.724 0 C-N-CA 121.802 1.668 . . . . 0.0 111.24 178.152 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 98.1 mttt 57.91 56.91 4.42 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.319 -0.4 . . . . 0.0 111.346 177.503 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 14.7 t -94.97 -162.39 0.94 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.084 -0.507 . . . . 0.0 111.257 178.879 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 99.5 m-20 -55.34 -45.73 76.4 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.222 -177.784 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 54' ' ' HIS . . . . . . . . . . . . . 99.3 m-70 -136.3 -5.03 2.08 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.072 -0.513 . . . . 0.0 111.286 179.571 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 55' ' ' TYR . . . . . . . . . . . . . 22.2 m-30 -108.05 96.24 6.23 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.157 -173.283 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 97.4 m -99.84 125.54 45.81 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.177 -179.299 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 95.9 mt -110.39 122.32 64.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.317 -179.026 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 99.4 mm-40 -102.39 132.42 48.41 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.186 172.77 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 99.8 mtt180 -115.26 108.11 16.15 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.296 -174.463 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 66.8 t0 -94.29 120.75 34.98 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.15 172.141 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 95.3 mt -67.36 -12.17 59.51 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.175 -172.373 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 22.3 t70 -65.32 -22.44 66.83 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.43 -0.35 . . . . 0.0 111.016 177.689 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 123.85 17.27 3.14 Favored Glycine 0 CA--C 1.524 0.653 0 N-CA-C 111.048 -0.821 . . . . 0.0 111.048 178.484 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 88.2 m -118.11 139.54 51.1 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-O 120.736 0.303 . . . . 0.0 111.311 177.171 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 65' ' ' CYS . . . . . . . . . . . . . 13.6 t -137.18 138.06 39.83 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.974 176.685 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 37.4 t -121.38 136.96 54.9 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.112 -0.494 . . . . 0.0 111.169 -174.364 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 62.3 tp -116.95 120.15 37.54 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.237 177.838 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 81.6 t60 -111.88 126.23 54.88 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.295 -0.412 . . . . 0.0 111.187 -178.644 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 98.4 m -98.13 117.49 32.62 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.013 172.008 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 82.4 m -63.37 -44.82 93.7 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.33 -176.127 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -143.61 87.83 1.96 Allowed 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.081 -0.509 . . . . 0.0 111.123 -176.856 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 48.4 t -75.68 107.5 7.88 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.191 -176.472 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 56.3 p -106.09 179.83 4.15 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.293 179.18 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 97.5 mt -61.6 -26.4 67.96 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.289 -178.264 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 99.7 m-20 -77.7 -20.24 53.91 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.175 175.432 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 69.9 m-20 -91.62 -11.12 38.02 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.022 -0.535 . . . . 0.0 111.161 177.988 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 57.4 t0 -59.7 126.44 27.61 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.246 172.966 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 161.13 -164.24 34.76 Favored Glycine 0 CA--C 1.525 0.657 0 N-CA-C 111.194 -0.762 . . . . 0.0 111.194 -179.041 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 74.2 m-20 -105.35 109.06 20.89 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.746 0.308 . . . . 0.0 111.162 -174.206 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 80' ' ' TYR . . . . . . . . . . . . . 61.9 m-85 -82.96 70.06 9.89 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.387 177.644 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 86.3 m -65.1 134.64 54.22 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.12 -171.989 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 1.7 tt -110.06 140.0 30.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.217 176.911 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 83' ' ' MET . . . . . . . . . . . . . 66.4 ttp -124.55 120.32 31.63 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.238 -178.601 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -92.32 84.46 5.18 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.077 177.514 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -95.08 119.51 33.71 Favored 'General case' 0 C--O 1.233 0.205 0 CA-C-N 116.092 -0.504 . . . . 0.0 111.275 -176.194 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 86' ' ' ASN . . . . . 0.498 ' CB ' ' CD ' ' A' ' 87' ' ' PRO . 24.8 p-10 -141.03 179.99 1.12 Allowed Pre-proline 0 C--N 1.329 -0.313 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.191 174.43 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 87' ' ' PRO . . . . . 0.498 ' CD ' ' CB ' ' A' ' 86' ' ' ASN . 77.7 Cg_exo -59.01 -25.04 76.26 Favored 'Trans proline' 0 N--CA 1.456 -0.709 0 C-N-CA 121.7 1.6 . . . . 0.0 111.272 -175.104 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 96.8 mm-40 -93.26 4.09 54.56 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.075 -0.511 . . . . 0.0 111.25 -172.52 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 128.97 -173.27 19.43 Favored Glycine 0 CA--C 1.522 0.528 0 N-CA-C 111.237 -0.745 . . . . 0.0 111.237 178.477 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 41.0 ptt180 -142.4 152.65 43.04 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-O 120.596 0.236 . . . . 0.0 111.283 -178.178 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 7.2 p -153.4 139.07 11.52 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.181 179.16 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 98.5 p -108.22 159.8 16.33 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.257 -173.096 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 93' ' ' CYS . . . . . . . . . . . . . 50.3 t -148.99 135.55 19.52 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.305 173.3 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 88.3 m -72.76 129.97 39.41 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.325 -0.398 . . . . 0.0 111.286 -172.291 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -103.59 55.3 0.64 Allowed Glycine 0 CA--C 1.524 0.65 0 N-CA-C 111.086 -0.806 . . . . 0.0 111.086 176.934 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 79.8 ttt180 -54.05 115.8 2.23 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 120.648 0.261 . . . . 0.0 111.305 -175.539 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 55.1 tp -125.43 112.22 16.02 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.333 -0.394 . . . . 0.0 111.118 171.082 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 98' ' ' MET . . . . . . . . . . . . . 98.8 mmm -97.34 141.65 30.18 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.248 179.718 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 64.8 t -117.91 124.95 73.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.182 -177.484 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 64.0 tt0 -100.01 127.15 46.26 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 121.093 0.473 . . . . 0.0 111.172 177.462 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -60.53 121.55 12.42 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-N 116.059 -0.519 . . . . 0.0 111.22 178.333 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 102' ' ' VAL . . . . . 0.572 HG13 ' O ' ' A' ' 102' ' ' VAL . 6.3 p -100.01 99.08 7.81 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.221 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.306 -179.276 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 99.4 m-20 -74.84 -8.24 55.86 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.104 -176.452 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 104' ' ' GLN . . . . . . . . . . . . . 99.8 mm-40 -83.8 -7.9 59.35 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.325 178.79 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 61.3 ttm-85 -72.68 118.79 16.03 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.018 -0.537 . . . . 0.0 111.217 176.958 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . -71.63 -18.94 77.58 Favored Glycine 0 CA--C 1.524 0.608 0 N-CA-C 111.343 -0.703 . . . . 0.0 111.343 -177.59 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 99.8 mtt180 -90.08 -3.2 58.07 Favored 'General case' 0 C--N 1.332 -0.165 0 CA-C-O 120.849 0.357 . . . . 0.0 111.083 -179.862 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 43.3 t . . . . . 1 C--O 1.001 -12.011 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.319 -179.873 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.523 0.568 0 N-CA-C 111.265 -0.734 . . . . 0.0 111.265 . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 82.55 -162.74 41.86 Favored Glycine 0 CA--C 1.524 0.648 0 N-CA-C 111.274 -0.731 . . . . 0.0 111.274 179.862 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 97.6 p -157.1 164.05 38.3 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-O 120.794 0.33 . . . . 0.0 111.145 -179.763 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 95.8 m-20 60.1 36.03 21.23 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.297 -0.411 . . . . 0.0 111.061 -179.463 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -164.96 161.95 20.29 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.261 -178.337 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 95.7 m -106.46 118.59 37.05 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.314 -0.403 . . . . 0.0 111.326 177.72 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -66.54 152.69 94.57 Favored Pre-proline 0 C--N 1.326 -0.426 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.137 -175.986 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_exo -54.97 132.73 53.96 Favored 'Trans proline' 0 N--CA 1.458 -0.595 0 C-N-CA 121.65 1.567 . . . . 0.0 111.363 178.833 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 90.2 t80 -154.16 121.44 5.73 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 120.954 0.407 . . . . 0.0 111.253 177.19 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 76.1 m-85 -69.74 87.36 0.51 Allowed 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.156 -179.976 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 16.8 pt-20 -64.82 -20.14 66.23 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.059 -0.519 . . . . 0.0 111.302 175.185 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 67.5 ttp -137.93 113.02 9.18 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 115.903 -0.59 . . . . 0.0 111.01 170.227 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 99.0 mttt -98.29 166.22 11.49 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.267 -170.196 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 94.2 mt -82.64 170.35 15.23 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.319 -0.401 . . . . 0.0 111.208 176.605 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 63.9 pttt -134.84 179.91 6.01 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.311 177.258 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 19.9 t-160 -71.96 111.34 7.13 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.09 176.206 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 77.4 m-85 -100.33 146.25 27.18 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.279 -177.184 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 99.1 mttt -133.9 138.8 45.77 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.209 178.035 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 19' ' ' ILE . . . . . 0.414 ' O ' ' HA ' ' A' ' 99' ' ' VAL . 9.9 tp -150.6 151.9 12.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.094 -178.953 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 54.2 m-85 -82.03 141.59 33.08 Favored 'General case' 0 CA--C 1.521 -0.154 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.328 172.135 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . 0.423 ' O ' ' HG3' ' A' ' 21' ' ' GLU . 14.5 pt-20 -53.48 125.03 16.54 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.38 -176.755 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 106.71 -16.99 39.75 Favored Glycine 0 CA--C 1.526 0.738 0 N-CA-C 111.118 -0.793 . . . . 0.0 111.118 173.711 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 98.0 mmm -86.47 153.62 56.1 Favored Pre-proline 0 C--N 1.327 -0.385 0 CA-C-O 120.823 0.344 . . . . 0.0 111.234 -176.741 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 73.1 Cg_endo -74.82 152.4 41.7 Favored 'Trans proline' 0 N--CA 1.457 -0.658 0 C-N-CA 121.71 1.606 . . . . 0.0 111.18 179.038 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 59.5 t -134.93 128.88 50.54 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.165 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.066 178.999 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 88.4 m -127.79 128.24 44.96 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.138 179.676 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 35.4 p90 -155.74 165.39 36.65 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.12 172.178 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 10.5 t -148.97 160.71 43.05 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.334 -170.318 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 35.5 t -147.37 141.97 26.59 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.433 -0.349 . . . . 0.0 111.163 -177.35 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 43.2 ttm180 -121.47 138.37 54.32 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.354 -0.385 . . . . 0.0 111.11 -171.202 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 87.4 t -124.96 125.1 69.05 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.082 -0.508 . . . . 0.0 111.331 -174.261 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -86.7 64.65 8.62 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.269 177.872 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -107.52 155.2 16.39 Favored Glycine 0 CA--C 1.521 0.466 0 N-CA-C 111.265 -0.734 . . . . 0.0 111.265 179.049 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 34' ' ' ASN . . . . . 0.453 ' HA ' ' HA ' ' A' ' 35' ' ' PRO . 54.1 t-20 -156.12 109.49 2.09 Favored Pre-proline 0 CA--C 1.511 -0.551 0 CA-C-O 121.183 0.516 . . . . 0.0 110.956 179.551 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 35' ' ' PRO . . . . . 0.453 ' HA ' ' HA ' ' A' ' 34' ' ' ASN . 58.1 Cg_endo -74.67 169.31 74.63 Favored 'Cis proline' 0 N--CA 1.457 -0.642 0 C-N-CA 121.58 -2.258 . . . . 0.0 111.205 5.127 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 63.3 tttm -52.28 122.87 26.22 Favored Pre-proline 0 C--N 1.33 -0.257 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.067 178.906 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 31.7 Cg_exo -61.16 162.31 20.14 Favored 'Trans proline' 0 N--CA 1.457 -0.652 0 C-N-CA 121.627 1.552 . . . . 0.0 111.262 177.951 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 99.4 mttt -78.03 69.57 4.27 Favored 'General case' 0 N--CA 1.454 -0.247 0 CA-C-O 120.916 0.388 . . . . 0.0 111.486 174.905 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 76.8 mt -70.41 135.2 28.64 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.196 0 CA-C-N 116.044 -0.526 . . . . 0.0 111.085 -171.483 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 40.3 p90 -146.82 165.72 28.84 Favored 'General case' 0 N--CA 1.456 -0.159 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.207 177.946 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 41' ' ' TRP . . . . . . . . . . . . . 70.7 m95 -113.76 150.03 34.01 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-O 121.086 0.469 . . . . 0.0 111.169 -179.226 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 39.0 p90 -152.05 145.81 25.06 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.017 -0.538 . . . . 0.0 111.313 170.064 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 12.7 tmtt? -110.16 109.87 20.53 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.233 -174.813 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 92.0 m-20 53.27 33.6 15.87 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.094 -176.615 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 97.11 -0.75 60.5 Favored Glycine 0 CA--C 1.524 0.636 0 N-CA-C 111.137 -0.785 . . . . 0.0 111.137 176.331 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 97.0 mttt -96.33 100.13 11.77 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.81 0.338 . . . . 0.0 111.06 -178.718 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 66.0 tt0 -52.34 129.87 29.52 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.318 -0.401 . . . . 0.0 111.172 -177.399 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 91.7 mt -99.32 125.27 52.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.185 -177.582 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 30.0 t -86.43 132.79 41.84 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-N 116.357 -0.383 . . . . 0.0 111.289 173.872 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 57.7 Cg_exo -55.03 140.39 80.09 Favored 'Trans proline' 0 N--CA 1.459 -0.556 0 C-N-CA 121.649 1.566 . . . . 0.0 111.191 179.324 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 98.1 mttt 57.72 57.26 4.33 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.287 177.903 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 12.2 t -94.96 -160.85 0.81 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.091 -0.504 . . . . 0.0 111.228 179.201 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 99.5 m-20 -56.43 -46.18 80.41 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.313 -0.403 . . . . 0.0 111.232 -178.152 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 54' ' ' HIS . . . . . . . . . . . . . 99.5 m-70 -136.11 -5.12 2.13 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.313 178.721 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 55' ' ' TYR . . . . . . . . . . . . . 22.1 m-30 -106.76 96.35 6.38 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.983 0.42 . . . . 0.0 111.15 -173.168 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 97.5 m -99.97 123.52 44.31 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.067 -0.515 . . . . 0.0 111.096 -179.196 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 94.6 mt -109.31 121.2 61.97 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.173 179.98 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 99.0 mm-40 -100.94 129.58 46.81 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.298 -0.41 . . . . 0.0 111.226 172.857 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 99.3 mtt180 -115.54 101.97 9.36 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.167 -175.685 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 67.6 t0 -86.77 120.66 28.3 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.365 -0.379 . . . . 0.0 111.157 174.536 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 95.2 mt -68.55 -9.84 51.94 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.029 -0.532 . . . . 0.0 111.187 -171.372 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 96.0 m-20 -65.03 -21.1 66.78 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.339 -0.392 . . . . 0.0 110.971 175.141 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 122.05 21.31 2.89 Favored Glycine 0 CA--C 1.524 0.623 0 N-CA-C 111.057 -0.817 . . . . 0.0 111.057 179.435 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 61.9 m -122.21 137.3 54.88 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 120.89 0.376 . . . . 0.0 111.194 -177.26 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 65' ' ' CYS . . . . . . . . . . . . . 97.3 m -130.01 136.31 49.25 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 116.055 -0.52 . . . . 0.0 111.088 177.824 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 37.4 t -124.56 137.31 54.41 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.017 -0.538 . . . . 0.0 111.122 -176.866 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 68.1 tp -117.22 122.08 42.99 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.164 179.711 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 79.1 t60 -115.34 124.41 51.18 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.297 -0.411 . . . . 0.0 111.351 178.756 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 94.8 m -99.45 119.66 38.35 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.05 172.07 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 82.3 m -61.95 -46.78 87.8 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.071 -0.513 . . . . 0.0 111.345 -176.337 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -144.63 88.36 1.91 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.016 -0.538 . . . . 0.0 111.107 -177.022 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 43.7 t -76.76 106.8 8.65 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.118 -177.225 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 50.6 p -104.51 179.3 4.31 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.245 -179.26 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 98.3 mt -61.26 -26.1 67.53 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 115.985 -0.552 . . . . 0.0 111.316 -178.295 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 98.8 m-20 -79.47 -17.59 53.87 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.069 -0.514 . . . . 0.0 111.071 177.049 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 68.7 m-20 -92.13 -12.01 34.09 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.273 179.072 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 56.5 t0 -55.26 128.14 32.66 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.324 175.306 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 162.24 -165.15 35.87 Favored Glycine 0 CA--C 1.523 0.582 0 N-CA-C 111.242 -0.743 . . . . 0.0 111.242 179.777 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 73.9 m-80 -105.6 108.39 19.88 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.887 0.375 . . . . 0.0 111.16 -174.281 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 80' ' ' TYR . . . . . . . . . . . . . 69.0 m-85 -85.0 70.06 10.88 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.18 178.439 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 88.7 m -68.9 135.04 50.42 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.093 -172.019 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 3.0 tt -107.51 138.77 32.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.146 175.467 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 83' ' ' MET . . . . . . . . . . . . . 59.0 ttm -125.68 129.63 49.94 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.328 -0.396 . . . . 0.0 111.364 179.377 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -98.49 65.33 1.62 Allowed 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.199 176.202 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -77.88 136.27 38.02 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.307 -175.118 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 86' ' ' ASN . . . . . 0.408 ' CB ' ' CD ' ' A' ' 87' ' ' PRO . 35.4 p30 -155.04 175.47 3.1 Favored Pre-proline 0 C--N 1.328 -0.327 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.116 171.273 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 87' ' ' PRO . . . . . 0.408 ' CD ' ' CB ' ' A' ' 86' ' ' ASN . 77.8 Cg_exo -58.02 -25.13 69.09 Favored 'Trans proline' 0 N--CA 1.455 -0.741 0 C-N-CA 121.769 1.646 . . . . 0.0 111.338 -175.725 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 96.6 mm-40 -91.01 -5.1 55.82 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.073 -0.512 . . . . 0.0 111.24 -172.974 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 142.56 177.87 18.0 Favored Glycine 0 CA--C 1.523 0.585 0 N-CA-C 111.283 -0.727 . . . . 0.0 111.283 -179.569 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 40.5 ptt180 -144.54 153.79 42.2 Favored 'General case' 0 C--O 1.234 0.286 0 CA-C-O 120.631 0.253 . . . . 0.0 111.143 -177.555 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 9.2 p -153.72 137.49 8.51 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.401 0 CA-C-N 116.314 -0.403 . . . . 0.0 111.07 177.67 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 98.7 p -111.94 155.37 23.82 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.265 -175.461 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 93' ' ' CYS . . . . . . . . . . . . . 52.8 t -143.17 127.35 17.56 Favored 'General case' 0 C--O 1.236 0.375 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.292 173.504 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 90.3 m -68.97 128.44 36.71 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.408 -0.36 . . . . 0.0 111.315 -171.667 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -101.4 55.39 0.76 Allowed Glycine 0 CA--C 1.523 0.552 0 N-CA-C 111.239 -0.744 . . . . 0.0 111.239 176.412 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 79.5 ttt180 -52.1 114.8 1.43 Allowed 'General case' 0 C--N 1.327 -0.408 0 CA-C-O 120.866 0.365 . . . . 0.0 111.205 -177.222 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 61.4 tp -123.73 109.51 13.78 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.253 171.508 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 98' ' ' MET . . . . . . . . . . . . . 98.9 mmm -97.49 140.04 32.51 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.289 -0.414 . . . . 0.0 111.15 179.731 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 99' ' ' VAL . . . . . 0.414 ' HA ' ' O ' ' A' ' 19' ' ' ILE . 59.2 t -116.91 130.02 72.5 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-N 116.123 -0.489 . . . . 0.0 111.102 -175.607 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 99.5 mm-40 -101.42 144.89 29.66 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.222 179.365 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -76.65 146.14 38.35 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.399 -178.922 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 102' ' ' VAL . . . . . . . . . . . . . 81.5 t -109.75 114.08 45.98 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.327 -0.397 . . . . 0.0 111.216 177.56 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 98.8 m-20 -68.65 -24.57 64.55 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.31 -0.404 . . . . 0.0 111.098 -173.902 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 104' ' ' GLN . . . . . . . . . . . . . 99.8 mm-40 -87.49 -9.15 55.34 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.294 -0.412 . . . . 0.0 111.297 -177.399 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 60.6 ttm-85 -80.79 117.9 21.86 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.03 -0.532 . . . . 0.0 111.38 178.895 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . -69.95 -20.7 76.4 Favored Glycine 0 CA--C 1.523 0.533 0 N-CA-C 111.401 -0.68 . . . . 0.0 111.401 -177.972 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 99.8 mtt180 -92.88 1.6 57.21 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.7 0.286 . . . . 0.0 111.066 -179.862 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 48.0 t . . . . . 1 C--O 0.999 -12.082 0 CA-C-N 116.32 -0.4 . . . . 0.0 111.189 -178.882 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.523 0.558 0 N-CA-C 111.254 -0.739 . . . . 0.0 111.254 . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 55.15 -126.64 39.43 Favored Glycine 0 CA--C 1.524 0.603 0 N-CA-C 111.249 -0.741 . . . . 0.0 111.249 178.651 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 69.1 m -91.76 51.12 1.79 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.653 0.263 . . . . 0.0 111.091 175.246 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 62.5 t30 54.98 47.25 22.57 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.34 -0.391 . . . . 0.0 111.105 -178.227 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -155.0 154.99 33.38 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.068 -176.959 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 84.7 m -135.01 129.71 34.56 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.384 -177.893 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -58.66 153.43 41.21 Favored Pre-proline 0 C--N 1.326 -0.449 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.278 -178.906 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 28.6 Cg_endo -62.01 144.52 96.32 Favored 'Trans proline' 0 N--CA 1.455 -0.747 0 C-N-CA 121.678 1.586 . . . . 0.0 111.29 -179.968 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 84.4 t80 -159.99 140.18 11.68 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 120.871 0.367 . . . . 0.0 111.226 -175.209 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 79.0 m-85 -89.75 99.02 12.11 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.123 177.951 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 88.0 tt0 -57.12 -39.54 75.32 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.043 -0.526 . . . . 0.0 111.299 172.775 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 66.4 ttp -130.27 120.62 24.69 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.048 -0.523 . . . . 0.0 111.124 174.2 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 98.8 mttt -99.55 164.62 12.0 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.263 -171.851 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 96.0 mt -81.67 154.39 26.12 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.309 -179.768 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 97.4 mttt -114.97 -180.0 3.79 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.202 175.892 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 21.0 t-160 -75.03 111.67 10.49 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.119 173.586 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 68.5 m-85 -103.03 147.54 26.83 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.322 -0.399 . . . . 0.0 111.22 -174.529 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 98.9 mttt -135.48 139.91 44.41 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.286 177.307 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 19' ' ' ILE . . . . . 0.445 ' O ' ' HA ' ' A' ' 99' ' ' VAL . 10.4 tp -150.13 147.33 16.18 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.08 -179.391 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 38.5 m-85 -74.93 145.07 42.93 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.235 178.558 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 87.5 tt0 -54.71 122.16 10.08 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.15 -177.564 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 98.19 -13.1 63.49 Favored Glycine 0 CA--C 1.523 0.561 0 N-CA-C 111.261 -0.736 . . . . 0.0 111.261 173.267 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 97.8 mmm -88.23 152.47 50.32 Favored Pre-proline 0 C--N 1.33 -0.27 0 CA-C-O 120.844 0.354 . . . . 0.0 111.292 -176.164 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 74.3 Cg_endo -74.31 150.49 41.86 Favored 'Trans proline' 0 N--CA 1.457 -0.626 0 C-N-CA 121.769 1.646 . . . . 0.0 111.31 177.344 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 8.3 p -149.32 134.82 11.18 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.38 0 CA-C-N 116.275 -0.421 . . . . 0.0 111.135 176.618 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 85.2 m -120.86 134.46 55.29 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.087 -179.37 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 34.4 p90 -150.17 154.67 38.41 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.193 173.799 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 11.9 t -146.24 160.01 42.56 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.343 -166.9 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 29' ' ' CYS . . . . . 0.425 ' SG ' HD11 ' A' ' 82' ' ' ILE . 49.8 t -148.28 150.47 33.71 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.342 -0.39 . . . . 0.0 111.175 -178.701 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 59.1 ttt85 -125.42 132.08 52.8 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.286 -0.415 . . . . 0.0 111.121 -172.721 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 35.9 m -109.72 155.15 10.99 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.242 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.242 176.557 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -145.12 76.81 1.5 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.069 -0.514 . . . . 0.0 111.298 179.68 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -120.76 -167.3 13.3 Favored Glycine 0 CA--C 1.522 0.504 0 N-CA-C 111.344 -0.703 . . . . 0.0 111.344 177.765 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 34' ' ' ASN . . . . . 0.504 ' HA ' ' HA ' ' A' ' 35' ' ' PRO . 54.1 t-20 -155.18 106.12 2.25 Favored Pre-proline 0 CA--C 1.511 -0.555 0 CA-C-O 121.194 0.521 . . . . 0.0 110.942 179.142 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 35' ' ' PRO . . . . . 0.504 ' HA ' ' HA ' ' A' ' 34' ' ' ASN . 26.2 Cg_exo -69.65 156.37 92.53 Favored 'Cis proline' 0 N--CA 1.457 -0.656 0 C-N-CA 121.405 -2.331 . . . . 0.0 111.377 3.838 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 98.9 mttt -55.76 125.21 60.9 Favored Pre-proline 0 C--N 1.33 -0.279 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.146 178.385 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 37' ' ' PRO . . . . . 0.464 ' HA ' ' HB3' ' A' ' 86' ' ' ASN . 77.7 Cg_exo -56.56 144.91 83.38 Favored 'Trans proline' 0 N--CA 1.457 -0.638 0 C-N-CA 121.783 1.656 . . . . 0.0 111.188 -176.272 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 98.7 mttt -88.76 100.03 12.82 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.29 173.872 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 86.2 mt -64.28 117.14 4.47 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.328 -0.396 . . . . 0.0 111.027 -171.899 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 82.5 m-85 -111.73 148.29 33.8 Favored 'General case' 0 C--O 1.234 0.242 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.23 172.738 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 41' ' ' TRP . . . . . . . . . . . . . 91.4 m95 -116.1 140.18 49.54 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.187 179.006 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 46.5 p90 -152.52 147.54 26.33 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.255 169.603 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 11.2 tmtt? -110.01 108.56 18.84 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.188 -173.382 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 60.4 m-20 45.49 42.66 8.11 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.301 -0.409 . . . . 0.0 111.134 -176.795 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 98.18 -2.88 59.77 Favored Glycine 0 CA--C 1.523 0.584 0 N-CA-C 111.189 -0.764 . . . . 0.0 111.189 173.333 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 96.0 mttt -98.56 97.83 9.08 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.811 0.339 . . . . 0.0 111.239 -177.301 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 66.4 tt0 -51.3 129.72 25.36 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.318 -179.116 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 94.2 mt -100.73 124.11 54.12 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.284 -0.417 . . . . 0.0 111.197 -178.084 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 29.5 t -92.05 135.89 26.64 Favored Pre-proline 0 C--N 1.328 -0.346 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.198 175.735 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 50.7 Cg_exo -54.95 143.56 71.93 Favored 'Trans proline' 0 N--CA 1.456 -0.701 0 C-N-CA 121.739 1.626 . . . . 0.0 111.173 176.813 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 98.2 mttt 57.57 53.02 7.7 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.175 176.757 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 13.9 t -94.9 -162.0 0.91 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.101 -0.5 . . . . 0.0 111.159 178.552 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 99.4 m-20 -55.78 -46.95 77.83 Favored 'General case' 0 N--CA 1.454 -0.257 0 CA-C-O 121.039 0.447 . . . . 0.0 111.326 -177.999 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 54' ' ' HIS . . . . . . . . . . . . . 99.2 m-70 -136.15 -5.02 2.12 Favored 'General case' 0 C--O 1.234 0.285 0 CA-C-N 115.993 -0.549 . . . . 0.0 111.255 179.39 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 55' ' ' TYR . . . . . . . . . . . . . 22.3 m-30 -105.19 105.23 15.17 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.073 -173.278 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 98.5 m -106.53 124.62 49.88 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.165 179.028 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 95.7 mt -111.01 122.05 64.79 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 CA-C-N 116.356 -0.384 . . . . 0.0 111.198 179.472 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 97.2 mm-40 -115.16 105.0 12.41 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.081 -0.509 . . . . 0.0 111.273 174.617 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 40.4 ttm105 -100.89 100.02 10.6 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.115 -175.375 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 65.8 t0 -73.64 130.76 40.69 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.06 -0.518 . . . . 0.0 111.206 173.496 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 95.0 mt -66.79 -14.61 62.82 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.189 -174.26 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 22.0 t70 -63.53 -28.02 69.66 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.424 -0.353 . . . . 0.0 111.167 178.105 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 133.33 -4.59 4.87 Favored Glycine 0 CA--C 1.525 0.671 0 N-CA-C 111.109 -0.796 . . . . 0.0 111.109 175.869 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 98.8 m -101.46 134.59 44.32 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.862 0.363 . . . . 0.0 111.27 178.034 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 65' ' ' CYS . . . . . . . . . . . . . 48.6 t -134.8 132.44 38.69 Favored 'General case' 0 C--O 1.235 0.303 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.166 175.848 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 29.5 t -108.63 140.03 42.57 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.341 -0.39 . . . . 0.0 111.276 -177.615 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 64.9 tp -113.46 119.53 37.9 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.996 -0.547 . . . . 0.0 111.117 172.101 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 70.4 t60 -110.62 129.95 55.69 Favored 'General case' 0 C--N 1.332 -0.165 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.155 179.819 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 94.8 m -105.91 118.57 36.95 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.078 -0.51 . . . . 0.0 111.117 172.121 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 80.5 m -65.74 -43.6 88.51 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.229 -175.56 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -142.82 85.93 1.91 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.068 -0.514 . . . . 0.0 111.138 -176.677 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 48.1 t -78.38 107.35 10.95 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.176 -177.269 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 54.0 p -105.61 178.34 4.59 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.066 -0.515 . . . . 0.0 111.129 -179.809 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 95.5 mt -61.79 -25.59 67.58 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.216 -178.413 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 98.7 m-20 -76.44 -20.25 57.25 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.171 174.56 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 67.8 m-20 -92.16 -17.06 25.43 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.245 177.675 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 57.6 t0 -54.73 130.18 39.66 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.379 -0.373 . . . . 0.0 111.201 175.269 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 160.58 -148.84 17.55 Favored Glycine 0 CA--C 1.523 0.56 0 N-CA-C 111.139 -0.784 . . . . 0.0 111.139 179.174 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 44.4 m-80 -119.99 105.37 10.98 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.961 0.41 . . . . 0.0 111.145 -171.041 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 80' ' ' TYR . . . . . . . . . . . . . 32.0 m-85 -84.87 70.47 10.87 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.076 -0.511 . . . . 0.0 111.213 -179.301 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 87.0 m -63.02 133.67 54.93 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.168 -171.792 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 82' ' ' ILE . . . . . 0.425 HD11 ' SG ' ' A' ' 29' ' ' CYS . 6.0 tt -104.59 140.09 23.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.31 -0.405 . . . . 0.0 111.146 177.287 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 83' ' ' MET . . . . . . . . . . . . . 63.6 tpp -119.44 119.91 35.3 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.38 -0.373 . . . . 0.0 111.35 -177.44 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -88.45 71.89 8.93 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.031 174.717 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -83.16 125.07 31.13 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.273 -176.026 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 86' ' ' ASN . . . . . 0.464 ' HB3' ' HA ' ' A' ' 37' ' ' PRO . 27.3 p-10 -147.62 177.94 1.61 Allowed Pre-proline 0 C--N 1.329 -0.313 0 CA-C-N 116.049 -0.523 . . . . 0.0 111.102 173.324 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 87' ' ' PRO . . . . . 0.456 ' CD ' ' CB ' ' A' ' 86' ' ' ASN . 70.7 Cg_exo -59.17 -24.93 76.13 Favored 'Trans proline' 0 N--CA 1.457 -0.642 0 C-N-CA 121.571 1.514 . . . . 0.0 111.263 -175.136 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 96.9 mm-40 -94.49 1.96 55.72 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.068 -171.153 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 137.37 -162.14 25.36 Favored Glycine 0 CA--C 1.523 0.559 0 N-CA-C 111.319 -0.712 . . . . 0.0 111.319 179.362 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 40.8 ptt180 -152.36 145.59 24.68 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.71 0.291 . . . . 0.0 111.172 178.356 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 60.6 t -134.24 130.17 54.18 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.185 177.206 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 90.7 p -95.3 157.31 15.95 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.293 -179.429 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 93' ' ' CYS . . . . . . . . . . . . . 51.8 t -150.73 129.99 12.79 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.169 170.831 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 89.2 m -66.83 127.5 32.71 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.247 -172.828 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -100.03 57.02 0.82 Allowed Glycine 0 CA--C 1.524 0.613 0 N-CA-C 111.165 -0.774 . . . . 0.0 111.165 175.772 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 80.1 ttt180 -52.95 113.45 1.1 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.763 0.316 . . . . 0.0 111.304 -176.231 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 63.8 tp -123.83 110.22 14.6 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.102 172.343 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 98' ' ' MET . . . . . . . . . . . . . 98.8 mmm -97.17 144.3 27.14 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.251 179.904 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 99' ' ' VAL . . . . . 0.445 ' HA ' ' O ' ' A' ' 19' ' ' ILE . 96.5 t -114.44 130.2 69.16 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.385 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.22 -177.167 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 96.5 mm-40 -102.06 153.73 19.63 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.118 -174.758 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -73.15 146.47 45.62 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.184 178.716 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 102' ' ' VAL . . . . . . . . . . . . . 78.7 t -103.09 120.83 53.52 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.2 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.249 -179.822 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 99.0 m-20 -65.8 -28.14 68.79 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.206 -173.513 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 104' ' ' GLN . . . . . . . . . . . . . 99.8 mm-40 -87.16 -7.77 57.63 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-O 121.071 0.462 . . . . 0.0 111.55 -178.67 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 61.1 ttm-85 -78.45 115.34 18.09 Favored 'General case' 0 C--N 1.333 -0.147 0 CA-C-N 115.894 -0.594 . . . . 0.0 111.322 178.619 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . -69.51 -18.9 74.1 Favored Glycine 0 CA--C 1.522 0.507 0 N-CA-C 111.289 -0.725 . . . . 0.0 111.289 -177.97 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 99.9 mtt180 -90.56 -2.02 57.89 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.843 0.354 . . . . 0.0 111.159 -179.882 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 43.2 t . . . . . 1 C--O 1.0 -12.053 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.238 -179.864 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.523 0.558 0 N-CA-C 111.23 -0.748 . . . . 0.0 111.23 . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 65.03 -126.29 31.34 Favored Glycine 0 CA--C 1.523 0.567 0 N-CA-C 111.283 -0.727 . . . . 0.0 111.283 179.717 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 26.8 t -144.9 84.91 1.74 Allowed 'General case' 0 C--N 1.326 -0.441 0 CA-C-O 120.765 0.317 . . . . 0.0 111.333 179.374 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 62.6 t30 55.0 45.86 25.5 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.331 -0.395 . . . . 0.0 111.116 -179.758 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -155.0 154.96 33.33 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.09 -0.504 . . . . 0.0 111.137 -178.606 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 85.3 m -139.89 127.29 21.4 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.325 -178.266 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 7' ' ' ALA . . . . . 0.401 ' HA ' ' HD3' ' A' ' 8' ' ' PRO . . . -65.45 150.48 95.84 Favored Pre-proline 0 C--N 1.325 -0.457 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.273 179.654 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . 0.401 ' HD3' ' HA ' ' A' ' 7' ' ' ALA . 57.7 Cg_exo -55.0 135.8 70.24 Favored 'Trans proline' 0 N--CA 1.458 -0.61 0 C-N-CA 121.768 1.645 . . . . 0.0 111.209 179.535 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 90.0 t80 -154.27 123.87 6.62 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.37 -0.377 . . . . 0.0 111.192 178.469 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 72.1 m-85 -70.1 86.19 0.55 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.099 179.899 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 15.7 pt-20 -65.0 -21.33 66.83 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.269 172.112 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 67.1 ttp -133.34 113.52 12.67 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.086 -0.507 . . . . 0.0 111.118 168.287 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 99.0 mttt -96.75 165.89 11.91 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.259 -170.613 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 96.2 mt -83.39 171.89 13.03 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.14 177.183 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 64.1 pttt -134.9 178.85 6.7 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.176 175.336 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 18.0 t-160 -72.33 108.21 5.33 Favored 'General case' 0 C--O 1.234 0.245 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.123 174.618 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 85.7 m-85 -95.26 143.98 26.21 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.487 -0.324 . . . . 0.0 111.285 -175.79 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 98.9 mttt -134.77 139.28 45.02 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.103 -0.499 . . . . 0.0 111.098 177.459 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 10.4 tp -149.0 150.46 13.97 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.101 -0.5 . . . . 0.0 111.157 -178.364 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 38.3 m-85 -79.0 145.06 34.13 Favored 'General case' 0 C--O 1.232 0.161 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.295 173.582 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 86.9 tt0 -55.09 124.92 18.42 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.312 -0.404 . . . . 0.0 111.075 -177.159 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 102.45 -16.36 55.15 Favored Glycine 0 CA--C 1.524 0.599 0 N-CA-C 111.199 -0.76 . . . . 0.0 111.199 173.378 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 98.1 mmm -85.03 153.99 60.35 Favored Pre-proline 0 C--N 1.328 -0.354 0 CA-C-O 120.712 0.292 . . . . 0.0 111.352 -176.184 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 72.3 Cg_endo -75.42 154.2 40.37 Favored 'Trans proline' 0 C--N 1.326 -0.617 0 C-N-CA 121.752 1.635 . . . . 0.0 111.265 179.495 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 59.3 t -133.19 124.96 50.45 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-N 116.324 -0.398 . . . . 0.0 111.206 178.045 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 91.4 m -127.63 123.42 35.57 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.094 -179.069 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 52.0 p90 -157.84 164.98 36.42 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.071 -0.513 . . . . 0.0 111.202 172.581 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 12.5 t -145.89 161.26 40.42 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.237 -171.233 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 11.5 t -139.45 148.89 43.36 Favored 'General case' 0 C--O 1.234 0.264 0 CA-C-N 116.354 -0.384 . . . . 0.0 111.312 179.99 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 78.3 ttt180 -132.96 138.92 47.06 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-O 120.843 0.354 . . . . 0.0 111.219 -174.218 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 30.8 m -124.7 148.81 28.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.092 -0.503 . . . . 0.0 111.177 -179.881 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -99.15 65.02 1.41 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.25 174.797 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -104.61 160.49 15.56 Favored Glycine 0 CA--C 1.522 0.531 0 N-CA-C 111.201 -0.76 . . . . 0.0 111.201 -174.941 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 34' ' ' ASN . . . . . 0.466 ' HA ' ' C ' ' A' ' 35' ' ' PRO . 54.2 t-20 -156.23 107.05 2.06 Favored Pre-proline 0 CA--C 1.511 -0.545 0 CA-C-O 121.131 0.491 . . . . 0.0 110.937 177.719 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 35' ' ' PRO . . . . . 0.466 ' C ' ' HA ' ' A' ' 34' ' ' ASN . 24.5 Cg_exo -74.49 165.55 85.2 Favored 'Cis proline' 0 N--CA 1.457 -0.639 0 C-N-CA 121.539 -2.275 . . . . 0.0 111.28 9.306 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . 0.464 ' HD2' ' N ' ' A' ' 36' ' ' LYS . 4.2 mptp? -59.91 115.45 12.99 Favored Pre-proline 0 C--N 1.328 -0.358 0 CA-C-N 116.045 -0.525 . . . . 0.0 111.057 -179.065 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 52.7 Cg_exo -57.13 145.39 86.66 Favored 'Trans proline' 0 N--CA 1.46 -0.478 0 C-N-CA 121.559 1.506 . . . . 0.0 111.262 -177.945 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 99.7 mttt -80.83 69.7 7.44 Favored 'General case' 0 N--CA 1.455 -0.194 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.536 176.223 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 88.1 mt -42.6 122.18 0.45 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.085 -0.507 . . . . 0.0 111.202 -172.86 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 75.3 m-85 -109.64 150.01 28.87 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.124 174.705 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 41' ' ' TRP . . . . . . . . . . . . . 92.2 m95 -115.86 141.67 47.79 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.089 -0.505 . . . . 0.0 111.12 173.111 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 40.6 p90 -150.52 146.17 26.43 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.088 -0.505 . . . . 0.0 111.326 171.034 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 12.3 tmtt? -109.98 110.0 20.78 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.193 -172.581 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 89.3 m-20 53.9 33.36 17.08 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.068 -176.565 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 96.58 -0.8 61.51 Favored Glycine 0 CA--C 1.525 0.688 0 N-CA-C 111.154 -0.778 . . . . 0.0 111.154 176.787 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 96.9 mttt -95.07 100.04 11.93 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.834 0.349 . . . . 0.0 111.234 -178.367 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 66.3 tt0 -51.09 127.31 18.74 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.248 -178.474 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 95.0 mt -96.93 124.95 50.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.278 -178.924 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 30.3 t -84.34 130.23 54.8 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-N 116.393 -0.367 . . . . 0.0 111.221 174.289 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 52.9 Cg_exo -54.82 139.89 78.05 Favored 'Trans proline' 0 N--CA 1.456 -0.693 0 C-N-CA 121.587 1.525 . . . . 0.0 111.209 178.006 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 98.1 mttt 58.65 54.68 5.19 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.112 -0.495 . . . . 0.0 111.192 177.593 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 14.9 t -94.9 -162.08 0.92 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.189 178.831 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 99.6 m-20 -55.62 -45.36 77.54 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.224 -177.439 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 54' ' ' HIS . . . . . . . . . . . . . 99.7 m-70 -136.16 -5.0 2.12 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.069 -0.514 . . . . 0.0 111.176 -179.634 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 55' ' ' TYR . . . . . . . . . . . . . 22.0 m-30 -108.54 96.27 6.23 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 120.991 0.424 . . . . 0.0 111.079 -173.103 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 98.3 m -98.24 124.89 43.08 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.115 179.914 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 95.9 mt -115.3 128.15 72.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.194 179.063 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 68.7 tp60 -122.39 110.03 15.14 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.217 177.003 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 41.6 ttm105 -100.77 100.02 10.63 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.332 -0.395 . . . . 0.0 111.211 -174.511 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 67.3 t0 -71.08 123.68 22.68 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.303 170.061 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 98.2 mt -74.59 -1.14 20.24 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.055 -0.52 . . . . 0.0 111.19 -170.205 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 96.7 m-20 -74.54 -14.16 60.76 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.353 -0.385 . . . . 0.0 110.977 174.0 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 121.1 21.81 3.05 Favored Glycine 0 CA--C 1.522 0.506 0 N-CA-C 111.098 -0.801 . . . . 0.0 111.098 177.284 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 63.9 m -129.24 140.02 51.62 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.767 0.318 . . . . 0.0 111.264 -178.695 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 65' ' ' CYS . . . . . . . . . . . . . 48.6 t -140.02 131.31 26.68 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.18 178.617 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 30.1 t -108.71 141.26 40.96 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.124 -177.971 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 61.1 tp -115.78 123.13 47.47 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.133 175.114 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 79.4 t60 -117.17 122.81 45.08 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.284 179.158 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 96.3 m -99.6 119.84 38.72 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.291 171.455 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 84.2 m -63.5 -46.4 86.26 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.331 -0.395 . . . . 0.0 111.303 -176.006 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -144.8 88.44 1.91 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.046 -176.448 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 47.2 t -76.57 110.05 10.82 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.033 -177.076 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 52.6 p -110.08 179.94 3.96 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.06 -0.518 . . . . 0.0 111.182 179.788 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 97.6 mt -61.93 -26.75 68.37 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.277 -178.536 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 98.7 m-20 -77.02 -17.89 58.52 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 116.091 -0.504 . . . . 0.0 111.094 175.486 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 68.2 m-20 -93.97 -15.58 24.75 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.125 178.287 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 57.2 t0 -54.85 128.46 33.24 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.12 175.353 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 161.5 -164.22 34.96 Favored Glycine 0 CA--C 1.523 0.594 0 N-CA-C 111.24 -0.744 . . . . 0.0 111.24 179.804 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 74.6 m-80 -105.04 107.62 18.69 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-O 120.894 0.378 . . . . 0.0 111.139 -174.238 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 80' ' ' TYR . . . . . . . . . . . . . 51.1 m-85 -84.65 70.37 10.76 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.062 -0.517 . . . . 0.0 111.266 178.383 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 85.8 m -64.49 133.86 53.28 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-N 116.303 -0.408 . . . . 0.0 111.216 -171.596 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 3.9 tt -104.59 142.63 17.56 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.062 178.102 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 83' ' ' MET . . . . . . . . . . . . . 67.8 ttp -132.84 117.17 17.41 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.364 178.919 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -93.1 90.77 7.02 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.317 -0.401 . . . . 0.0 111.17 178.904 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -98.15 126.64 43.7 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.219 -174.383 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 86' ' ' ASN . . . . . 0.489 ' CB ' ' CD ' ' A' ' 87' ' ' PRO . 22.8 p-10 -141.8 179.88 1.12 Allowed Pre-proline 0 C--N 1.328 -0.35 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.205 172.422 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 87' ' ' PRO . . . . . 0.489 ' CD ' ' CB ' ' A' ' 86' ' ' ASN . 78.4 Cg_exo -59.12 -25.94 79.86 Favored 'Trans proline' 0 N--CA 1.457 -0.664 0 C-N-CA 121.743 1.628 . . . . 0.0 111.262 -175.179 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 97.6 mm-40 -92.38 -4.99 52.99 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.255 -170.626 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 141.9 -165.22 26.61 Favored Glycine 0 CA--C 1.524 0.618 0 N-CA-C 111.192 -0.763 . . . . 0.0 111.192 -179.58 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 41.2 ptt180 -150.02 159.93 44.02 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 120.596 0.236 . . . . 0.0 111.181 -179.418 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 14.8 p -151.77 139.83 14.12 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.337 -0.392 . . . . 0.0 111.09 178.185 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 69.3 m -118.45 153.25 34.43 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.154 -171.767 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 93' ' ' CYS . . . . . . . . . . . . . 50.4 t -150.01 136.26 18.86 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.24 175.266 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 89.2 m -69.57 128.95 38.29 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.301 -0.409 . . . . 0.0 111.217 -174.298 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -101.82 55.99 0.71 Allowed Glycine 0 CA--C 1.523 0.533 0 N-CA-C 111.174 -0.77 . . . . 0.0 111.174 176.726 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 79.8 ttt180 -52.86 115.48 1.85 Allowed 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 120.637 0.256 . . . . 0.0 111.219 -176.836 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 60.6 tp -124.39 109.99 13.99 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.264 -0.425 . . . . 0.0 111.104 172.04 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 98' ' ' MET . . . . . . . . . . . . . 98.8 mmm -97.72 141.8 30.29 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.373 -179.796 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 68.0 t -116.97 125.03 73.65 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.431 0 CA-C-N 116.288 -0.414 . . . . 0.0 111.301 -177.031 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 64.1 tt0 -100.06 130.08 46.18 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.162 177.857 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -65.05 143.31 58.01 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.14 178.875 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 102' ' ' VAL . . . . . . . . . . . . . 77.8 t -88.57 111.07 22.0 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.211 -177.002 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 99.4 m-20 -73.29 -16.13 61.39 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.224 -174.891 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 104' ' ' GLN . . . . . . . . . . . . . 99.8 mm-40 -87.81 -4.96 58.84 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.303 179.392 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 48.0 ttp180 -88.65 126.44 35.3 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.979 -0.555 . . . . 0.0 111.184 -179.935 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . -70.83 -17.06 74.91 Favored Glycine 0 CA--C 1.525 0.704 0 N-CA-C 111.307 -0.717 . . . . 0.0 111.307 -179.243 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 99.8 mtt180 -90.65 -4.73 56.57 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.789 0.328 . . . . 0.0 111.175 -179.75 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 41.7 t . . . . . 1 C--O 1.001 -12.018 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.184 179.98 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.523 0.559 0 N-CA-C 111.22 -0.752 . . . . 0.0 111.22 . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 74.95 -114.98 4.52 Favored Glycine 0 CA--C 1.525 0.682 0 N-CA-C 111.231 -0.747 . . . . 0.0 111.231 179.966 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 45.2 t -135.08 -105.02 0.22 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.717 0.294 . . . . 0.0 111.164 179.782 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 60.7 t30 56.95 45.13 21.81 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-O 120.842 0.353 . . . . 0.0 111.102 -178.927 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -159.37 154.99 25.93 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.222 -179.075 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 13.7 t -160.05 178.24 9.9 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.274 -177.138 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -65.55 142.21 98.22 Favored Pre-proline 0 C--N 1.327 -0.4 0 CA-C-N 116.298 -0.41 . . . . 0.0 111.142 179.722 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 60.1 Cg_endo -73.78 154.01 48.58 Favored 'Trans proline' 0 N--CA 1.457 -0.675 0 C-N-CA 121.655 1.57 . . . . 0.0 111.233 -177.437 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 55.6 p90 -155.01 154.53 32.65 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.329 -0.396 . . . . 0.0 111.047 175.69 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 71.9 m-85 -80.44 121.26 25.51 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.078 -174.854 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 87.4 tt0 -77.06 -30.13 55.44 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.152 167.738 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 68.3 ttp -145.0 113.02 6.42 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.258 177.076 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 99.3 mttt -92.12 168.7 11.18 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.375 -172.04 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 97.6 mt -81.18 171.52 14.79 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.299 176.022 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 64.0 pttt -135.23 179.66 6.19 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.353 175.994 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 18.1 t-160 -71.69 107.22 4.41 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.198 175.599 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 80.3 m-85 -95.92 145.11 25.66 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.271 -176.895 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 98.9 mttt -133.96 139.6 46.21 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.149 176.853 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 10.8 tp -148.88 150.0 14.44 Favored 'Isoleucine or valine' 0 C--O 1.233 0.222 0 CA-C-N 116.056 -0.52 . . . . 0.0 111.205 -179.658 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 16.5 m-30 -75.59 144.84 41.58 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.31 -0.405 . . . . 0.0 111.42 172.154 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 85.1 tt0 -54.91 125.77 21.66 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.275 -0.421 . . . . 0.0 111.1 -176.984 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 101.19 -14.45 58.33 Favored Glycine 0 CA--C 1.525 0.687 0 N-CA-C 111.138 -0.785 . . . . 0.0 111.138 171.404 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 88.6 mtp -86.21 155.13 57.66 Favored Pre-proline 0 C--N 1.326 -0.417 0 CA-C-O 120.885 0.374 . . . . 0.0 111.288 -177.056 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 72.7 Cg_endo -75.16 154.99 42.15 Favored 'Trans proline' 0 N--CA 1.458 -0.562 0 C-N-CA 121.638 1.559 . . . . 0.0 111.15 179.457 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 61.9 t -133.31 125.6 51.15 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.147 178.112 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 87.6 m -124.5 122.96 39.05 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.117 -179.11 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 47.1 p90 -155.22 168.14 28.05 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.171 172.119 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 13.4 t -148.38 157.64 43.6 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.175 -173.446 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 12.5 t -139.53 143.89 37.63 Favored 'General case' 0 C--O 1.234 0.269 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.187 -178.868 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 60.3 ttt85 -120.3 129.77 54.16 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.39 -0.368 . . . . 0.0 111.256 -174.793 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . 0.423 HG22 ' HB3' ' A' ' 84' ' ' ALA . 71.6 t -118.95 124.74 73.68 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.395 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.311 179.863 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -94.16 64.97 3.33 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.042 -0.526 . . . . 0.0 111.295 178.826 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -95.79 171.49 28.9 Favored Glycine 0 CA--C 1.523 0.543 0 N-CA-C 111.136 -0.785 . . . . 0.0 111.136 -176.462 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 34' ' ' ASN . . . . . 0.493 ' HA ' ' HA ' ' A' ' 35' ' ' PRO . 54.2 t-20 -161.26 106.51 1.23 Allowed Pre-proline 0 CA--C 1.511 -0.555 0 CA-C-O 121.208 0.528 . . . . 0.0 110.927 -178.424 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 35' ' ' PRO . . . . . 0.493 ' HA ' ' HA ' ' A' ' 34' ' ' ASN . 23.7 Cg_exo -74.37 168.21 77.61 Favored 'Cis proline' 0 N--CA 1.458 -0.603 0 C-N-CA 121.575 -2.26 . . . . 0.0 111.096 7.844 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 69.0 mmtt -52.68 114.54 5.85 Favored Pre-proline 0 C--N 1.332 -0.186 0 CA-C-N 116.059 -0.519 . . . . 0.0 111.199 178.489 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 35.1 Cg_exo -63.51 157.51 50.59 Favored 'Trans proline' 0 N--CA 1.46 -0.457 0 C-N-CA 121.495 1.463 . . . . 0.0 111.178 -177.447 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 98.7 mttt -88.72 70.26 8.75 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.332 174.29 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 95.4 mt -42.39 121.9 0.42 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.061 -0.518 . . . . 0.0 111.22 -173.047 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 76.2 m-85 -109.96 151.05 27.61 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.303 -0.408 . . . . 0.0 111.235 174.769 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 41' ' ' TRP . . . . . . . . . . . . . 86.1 m95 -119.74 141.82 49.1 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.255 174.265 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 38.8 p90 -152.31 146.25 25.23 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.087 -0.506 . . . . 0.0 111.298 172.026 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 11.8 tmtt? -109.96 109.99 20.77 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.127 -174.723 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 95.8 m-20 54.54 31.48 14.99 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.195 -176.493 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 103.77 -19.5 44.17 Favored Glycine 0 CA--C 1.524 0.605 0 N-CA-C 111.217 -0.753 . . . . 0.0 111.217 177.343 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 88.1 tttt -79.67 109.97 14.57 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 120.77 0.319 . . . . 0.0 111.234 -176.753 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 65.8 tt0 -58.1 130.1 45.05 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.205 -177.995 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 91.3 mt -99.42 124.9 53.02 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.319 -0.4 . . . . 0.0 111.21 -179.392 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 30.1 t -89.2 134.11 33.74 Favored Pre-proline 0 C--N 1.326 -0.418 0 CA-C-N 116.399 -0.364 . . . . 0.0 111.185 174.175 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 63.7 Cg_exo -54.03 136.18 66.22 Favored 'Trans proline' 0 N--CA 1.456 -0.698 0 C-N-CA 121.646 1.564 . . . . 0.0 111.223 178.341 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 97.7 mttt 59.17 57.97 3.26 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.341 -0.39 . . . . 0.0 111.258 179.067 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 15.0 t -95.02 -160.81 0.81 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.171 178.537 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 99.0 m-20 -54.27 -45.55 72.47 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.182 -177.983 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 54' ' ' HIS . . . . . . . . . . . . . 99.5 m-70 -137.36 -5.19 1.83 Allowed 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.276 179.017 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 55' ' ' TYR . . . . . . . . . . . . . 22.0 m-30 -106.42 95.86 6.06 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 121.196 0.522 . . . . 0.0 111.058 -171.777 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 98.1 m -97.38 119.6 36.21 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.093 -179.781 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 96.9 mt -105.68 127.18 60.81 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.208 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.337 177.724 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 87.1 mt-30 -119.95 100.46 7.24 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.3 -0.409 . . . . 0.0 111.258 175.077 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 55.3 ttp180 -101.47 117.76 35.58 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.191 -173.598 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 65.6 t0 -100.56 132.56 45.89 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.322 -0.399 . . . . 0.0 111.201 176.784 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 95.3 mt -65.0 -16.47 63.47 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.265 -177.518 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 33.6 t70 -56.89 -33.26 66.72 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.323 -0.399 . . . . 0.0 111.143 175.496 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 133.54 -10.81 4.95 Favored Glycine 0 CA--C 1.522 0.523 0 N-CA-C 111.107 -0.797 . . . . 0.0 111.107 177.293 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 99.5 m -99.27 130.56 45.57 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.876 0.37 . . . . 0.0 111.282 178.495 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 65' ' ' CYS . . . . . . . . . . . . . 42.7 t -132.4 129.92 39.97 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.113 177.019 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 63.2 m -105.92 148.54 27.51 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.241 -175.333 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 61.5 tp -125.83 120.86 31.64 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.234 173.497 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 82.4 t60 -113.84 123.7 50.44 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.261 179.064 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 95.8 m -98.86 119.91 38.41 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.099 -0.5 . . . . 0.0 111.07 171.837 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 79.0 m -65.1 -44.99 87.01 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.183 -175.676 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -144.65 88.38 1.91 Allowed 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 116.299 -0.409 . . . . 0.0 111.196 -176.106 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 46.6 t -78.9 106.94 11.28 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.205 -177.512 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 51.1 p -109.16 -179.17 3.77 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.157 -179.96 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 97.4 mt -60.76 -28.44 68.72 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.01 -0.541 . . . . 0.0 111.129 -178.379 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 98.8 m-20 -76.74 -17.61 58.97 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.176 176.348 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 66.9 m-20 -95.08 -15.19 23.61 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.157 178.51 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 57.4 t0 -54.72 127.34 27.81 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.23 174.422 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 162.59 -165.07 36.04 Favored Glycine 0 CA--C 1.524 0.627 0 N-CA-C 111.224 -0.75 . . . . 0.0 111.224 179.996 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 74.2 m-80 -104.62 108.59 20.12 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.748 0.309 . . . . 0.0 111.059 -175.029 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 80' ' ' TYR . . . . . . . . . . . . . 37.8 m-85 -84.54 69.94 10.65 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.199 178.144 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 86.8 m -65.25 134.94 54.73 Favored 'General case' 0 C--O 1.234 0.273 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.249 -172.655 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 1.5 tt -107.06 140.04 26.58 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.409 0 CA-C-O 120.879 0.371 . . . . 0.0 111.097 175.66 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 83' ' ' MET . . . . . . . . . . . . . 60.3 ttm -133.14 114.53 13.98 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.289 -178.088 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 84' ' ' ALA . . . . . 0.423 ' HB3' HG22 ' A' ' 31' ' ' VAL . . . -93.16 89.93 6.65 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.073 -179.548 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -93.11 128.35 38.99 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.31 -0.404 . . . . 0.0 111.216 -177.412 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 86' ' ' ASN . . . . . 0.478 ' CB ' ' CD ' ' A' ' 87' ' ' PRO . 22.8 p30 -140.58 179.17 1.31 Allowed Pre-proline 0 C--N 1.328 -0.344 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.196 173.464 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 87' ' ' PRO . . . . . 0.478 ' CD ' ' CB ' ' A' ' 86' ' ' ASN . 71.5 Cg_exo -58.58 -27.76 83.65 Favored 'Trans proline' 0 N--CA 1.456 -0.714 0 C-N-CA 121.858 1.705 . . . . 0.0 111.249 -173.607 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 98.6 mm-40 -99.78 4.97 45.61 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.087 -0.506 . . . . 0.0 111.201 -169.052 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 136.38 -168.92 23.95 Favored Glycine 0 CA--C 1.523 0.538 0 N-CA-C 111.33 -0.708 . . . . 0.0 111.33 178.03 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 39.7 ptt180 -144.85 159.1 43.43 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.74 0.305 . . . . 0.0 111.073 -177.912 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 14.9 p -150.71 135.1 9.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.086 -0.506 . . . . 0.0 111.069 177.451 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 93.3 p -117.96 157.98 25.75 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.389 -170.909 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 93' ' ' CYS . . . . . . . . . . . . . 53.8 t -150.76 135.04 16.97 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.428 174.108 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 85.5 m -72.12 130.03 39.9 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.316 -0.402 . . . . 0.0 111.249 -174.037 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -102.63 55.65 0.67 Allowed Glycine 0 CA--C 1.524 0.616 0 N-CA-C 111.219 -0.752 . . . . 0.0 111.219 177.803 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 79.3 ttt180 -51.7 115.3 1.58 Allowed 'General case' 0 C--N 1.326 -0.429 0 CA-C-O 120.777 0.323 . . . . 0.0 111.21 -178.015 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 58.9 tp -124.79 109.91 13.67 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.323 172.043 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 98' ' ' MET . . . . . . . . . . . . . 98.7 mmm -97.96 141.48 30.87 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.121 -179.06 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 77.8 t -117.1 125.0 73.68 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.262 -177.341 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 64.0 tt0 -103.05 129.87 49.98 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.172 -179.863 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -82.19 131.04 35.23 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.223 173.954 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 102' ' ' VAL . . . . . . . . . . . . . 58.5 t -131.78 124.9 54.6 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.188 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.251 -176.006 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 98.7 m-20 -64.97 -34.9 79.54 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.197 -174.804 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 104' ' ' GLN . . . . . . . . . . . . . 89.7 mt-30 -73.99 -29.79 62.15 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.299 -0.41 . . . . 0.0 111.38 -179.227 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 24.0 tpp180 -71.62 112.81 8.04 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.009 -0.541 . . . . 0.0 111.195 -178.272 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . -64.85 -22.88 68.81 Favored Glycine 0 CA--C 1.523 0.593 0 N-CA-C 111.406 -0.678 . . . . 0.0 111.406 -178.25 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 26.7 mmm180 -75.06 -23.47 58.08 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.76 0.314 . . . . 0.0 110.995 177.33 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 31.4 t . . . . . 1 C--O 0.998 -12.168 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.254 -176.969 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.522 0.492 0 N-CA-C 111.195 -0.762 . . . . 0.0 111.195 . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 79.86 -160.23 44.67 Favored Glycine 0 CA--C 1.523 0.577 0 N-CA-C 111.302 -0.719 . . . . 0.0 111.302 -179.944 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 26.6 t -145.03 84.99 1.73 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.594 0.235 . . . . 0.0 111.266 179.979 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 62.4 t30 55.23 45.12 26.44 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 116.328 -0.396 . . . . 0.0 111.02 -178.928 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -155.01 154.94 33.28 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.164 -178.561 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 85.0 m -139.73 127.3 21.67 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.277 -177.407 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 7' ' ' ALA . . . . . 0.406 ' HA ' ' HD3' ' A' ' 8' ' ' PRO . . . -65.13 144.98 99.16 Favored Pre-proline 0 C--N 1.326 -0.418 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.096 179.027 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . 0.406 ' HD3' ' HA ' ' A' ' 7' ' ' ALA . 65.9 Cg_exo -55.77 131.32 45.36 Favored 'Trans proline' 0 N--CA 1.458 -0.562 0 C-N-CA 121.552 1.502 . . . . 0.0 111.229 -179.029 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 92.0 t80 -155.12 124.11 6.2 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.311 -0.404 . . . . 0.0 111.058 172.137 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 44.3 m-85 -69.95 91.52 0.67 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.083 -0.508 . . . . 0.0 111.041 -176.311 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 17.1 pt-20 -62.44 -20.04 64.11 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.141 -0.482 . . . . 0.0 111.184 175.182 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 66.7 ttp -137.61 107.22 6.19 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.147 -0.478 . . . . 0.0 111.162 172.514 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 99.5 mttt -92.6 173.74 7.63 Favored 'General case' 0 C--O 1.233 0.2 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.239 -174.606 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 96.5 mt -81.85 153.19 26.52 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.181 -177.421 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 97.1 mttt -106.09 165.03 11.51 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.207 177.853 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 23.2 t-160 -89.18 110.03 20.82 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.141 175.839 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 97.0 m-85 -98.54 145.44 26.8 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.417 -0.356 . . . . 0.0 111.247 -175.506 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 97.5 mttt -113.34 92.86 4.15 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.234 175.192 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 19' ' ' ILE . . . . . 0.452 ' O ' ' HA ' ' A' ' 99' ' ' VAL . 43.0 mm -110.01 140.06 30.62 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.079 -168.1 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 49.3 m-85 -72.68 146.79 46.28 Favored 'General case' 0 CA--C 1.52 -0.185 0 CA-C-N 116.072 -0.513 . . . . 0.0 111.323 179.073 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 87.8 tt0 -55.04 120.68 7.29 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.276 179.045 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 94.14 -11.69 70.23 Favored Glycine 0 CA--C 1.523 0.575 0 N-CA-C 111.311 -0.715 . . . . 0.0 111.311 177.024 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 26.3 ttt -79.96 136.78 54.03 Favored Pre-proline 0 C--N 1.328 -0.339 0 CA-C-O 120.864 0.364 . . . . 0.0 111.286 -177.635 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 62.5 Cg_endo -71.02 148.83 57.74 Favored 'Trans proline' 0 C--N 1.327 -0.553 0 C-N-CA 121.546 1.497 . . . . 0.0 111.2 177.03 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 7.6 p -148.81 134.89 12.19 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.093 176.881 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 87.0 m -113.09 130.52 56.14 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.155 177.658 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 27.2 p90 -146.95 153.24 39.86 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.137 177.972 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 9.5 t -149.21 157.04 43.03 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.249 -167.496 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 21.3 t -140.41 144.14 36.01 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.289 -0.414 . . . . 0.0 111.258 -178.658 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 78.5 ttt180 -125.82 135.92 52.53 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.431 -0.35 . . . . 0.0 111.174 -176.129 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 7.5 p -122.26 128.97 75.65 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.374 0 CA-C-N 116.068 -0.515 . . . . 0.0 111.16 -176.535 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -86.95 64.98 8.77 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.069 -0.514 . . . . 0.0 111.334 178.214 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -105.46 157.06 16.46 Favored Glycine 0 CA--C 1.521 0.441 0 N-CA-C 111.192 -0.763 . . . . 0.0 111.192 -176.861 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 34' ' ' ASN . . . . . 0.468 ' HA ' ' C ' ' A' ' 35' ' ' PRO . 54.0 t-20 -154.99 108.93 2.3 Favored Pre-proline 0 CA--C 1.51 -0.59 0 CA-C-O 121.225 0.536 . . . . 0.0 111.002 177.028 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 35' ' ' PRO . . . . . 0.468 ' C ' ' HA ' ' A' ' 34' ' ' ASN . 24.1 Cg_exo -74.9 169.46 74.41 Favored 'Cis proline' 0 N--CA 1.456 -0.695 0 C-N-CA 121.581 -2.258 . . . . 0.0 111.179 9.152 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . 0.447 ' HD2' ' N ' ' A' ' 36' ' ' LYS . 4.0 mptp? -59.06 115.75 13.2 Favored Pre-proline 0 C--N 1.33 -0.24 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.068 -178.843 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 37' ' ' PRO . . . . . 0.426 ' HD3' ' HA ' ' A' ' 36' ' ' LYS . 50.2 Cg_exo -60.07 156.56 38.74 Favored 'Trans proline' 0 N--CA 1.458 -0.613 0 C-N-CA 121.646 1.564 . . . . 0.0 111.149 -176.102 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 99.4 mttt -83.54 82.49 8.28 Favored 'General case' 0 C--N 1.332 -0.159 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.352 176.256 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 94.1 mt -55.96 125.04 10.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.081 -173.552 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 73.1 m-85 -111.9 145.04 40.23 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.257 -0.428 . . . . 0.0 111.176 175.038 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 41' ' ' TRP . . . . . . . . . . . . . 68.5 m95 -119.91 133.88 55.42 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.06 -0.518 . . . . 0.0 111.22 175.918 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 35.1 p90 -151.93 142.54 22.73 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.11 -0.496 . . . . 0.0 111.321 172.275 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 14.0 tmtt? -109.39 110.04 21.07 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.232 -174.856 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 95.0 m-20 55.03 32.55 18.41 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.363 -0.38 . . . . 0.0 111.034 -174.894 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 94.97 0.38 63.84 Favored Glycine 0 CA--C 1.523 0.538 0 N-CA-C 111.201 -0.76 . . . . 0.0 111.201 177.099 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 97.1 mttt -95.05 100.21 12.08 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.941 0.4 . . . . 0.0 111.077 -178.887 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 66.4 tt0 -50.88 129.97 24.31 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.302 -178.113 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 93.4 mt -100.02 123.66 52.99 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-N 116.309 -0.405 . . . . 0.0 111.148 -177.648 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 49' ' ' SER . . . . . 0.4 ' HA ' ' HD3' ' A' ' 50' ' ' PRO . 30.0 t -89.88 134.13 32.58 Favored Pre-proline 0 C--N 1.327 -0.374 0 CA-C-N 116.246 -0.433 . . . . 0.0 111.227 175.236 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 50' ' ' PRO . . . . . 0.4 ' HD3' ' HA ' ' A' ' 49' ' ' SER . 52.1 Cg_exo -54.91 139.05 78.85 Favored 'Trans proline' 0 N--CA 1.458 -0.594 0 C-N-CA 121.703 1.602 . . . . 0.0 111.223 177.919 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 98.3 mttt 57.9 54.62 5.95 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.227 177.435 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 14.9 t -94.91 -162.11 0.92 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.214 178.949 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 99.7 m-20 -55.79 -45.09 78.3 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.259 -177.11 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 54' ' ' HIS . . . . . . . . . . . . . 99.7 m-70 -135.97 -5.06 2.16 Favored 'General case' 0 C--O 1.234 0.286 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.253 -179.503 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 55' ' ' TYR . . . . . . . . . . . . . 21.0 m-30 -108.97 95.58 5.74 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 121.089 0.471 . . . . 0.0 111.158 -173.57 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 97.2 m -99.52 123.2 43.57 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.18 179.633 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 94.7 mt -109.97 123.53 65.94 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.228 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.143 -177.715 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 99.0 mm-40 -106.35 138.21 42.94 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.147 170.473 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 94.2 mtt-85 -120.01 103.27 9.17 Favored 'General case' 0 C--O 1.234 0.251 0 CA-C-N 116.292 -0.413 . . . . 0.0 111.248 -172.631 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 68.0 t0 -84.95 120.3 26.35 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.305 -0.407 . . . . 0.0 111.214 171.653 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 95.9 mt -70.62 -7.29 43.09 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.141 -170.293 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 96.1 m-20 -70.29 -16.08 62.97 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.282 -0.417 . . . . 0.0 111.191 176.203 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 120.73 23.41 2.8 Favored Glycine 0 CA--C 1.523 0.592 0 N-CA-C 111.029 -0.828 . . . . 0.0 111.029 177.844 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 73.7 m -125.05 139.28 53.94 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-O 120.873 0.368 . . . . 0.0 111.236 -179.938 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 65' ' ' CYS . . . . . . . . . . . . . 37.4 t -135.69 134.32 39.02 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.066 -0.515 . . . . 0.0 111.196 177.11 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 37.6 t -117.75 132.01 56.52 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.217 -175.961 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 60.6 tp -111.92 118.43 35.46 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.282 176.092 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 76.7 t60 -102.19 126.84 49.27 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.335 175.762 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 97.7 m -100.28 115.13 29.21 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.106 172.216 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 81.9 m -65.53 -40.3 92.76 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.255 -175.752 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -141.33 88.87 2.18 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.056 -0.52 . . . . 0.0 111.311 -177.444 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 23.3 t -76.89 80.87 3.46 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.141 -176.982 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 62.4 p -85.09 177.79 7.78 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.056 -179.832 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 98.8 mt -61.93 -26.76 68.37 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 115.981 -0.554 . . . . 0.0 111.275 -176.177 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 99.8 m-20 -75.92 -19.54 58.72 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.13 176.165 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 68.9 m-20 -91.89 -7.73 48.42 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.352 178.901 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 54.6 t0 -64.26 127.87 33.34 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.247 171.173 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 156.78 -160.52 30.38 Favored Glycine 0 CA--C 1.524 0.607 0 N-CA-C 111.315 -0.714 . . . . 0.0 111.315 -178.042 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 72.5 m-80 -104.74 106.75 17.37 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.708 0.29 . . . . 0.0 111.204 -171.171 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 80' ' ' TYR . . . . . . . . . . . . . 90.5 m-85 -80.48 69.91 7.06 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.293 -0.412 . . . . 0.0 111.245 174.585 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 86.7 m -68.34 130.09 41.87 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.067 -171.943 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 5.3 tt -112.22 139.79 35.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.062 177.601 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 83' ' ' MET . . . . . . . . . . . . . 66.4 ttp -130.11 122.39 28.17 Favored 'General case' 0 C--O 1.233 0.209 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.262 -179.941 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -106.3 92.83 4.3 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.317 -0.401 . . . . 0.0 111.121 179.758 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -103.14 131.05 50.45 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.251 -174.084 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 86' ' ' ASN . . . . . 0.489 ' CB ' ' CD ' ' A' ' 87' ' ' PRO . 24.9 p-10 -141.86 179.99 1.1 Allowed Pre-proline 0 C--N 1.329 -0.301 0 CA-C-N 116.015 -0.539 . . . . 0.0 111.14 172.867 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 87' ' ' PRO . . . . . 0.489 ' CD ' ' CB ' ' A' ' 86' ' ' ASN . 75.4 Cg_exo -58.58 -25.16 73.47 Favored 'Trans proline' 0 N--CA 1.457 -0.675 0 C-N-CA 121.71 1.606 . . . . 0.0 111.244 -175.068 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 97.3 mm-40 -92.67 -5.02 52.29 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.184 -170.31 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 145.36 -161.85 28.19 Favored Glycine 0 CA--C 1.525 0.681 0 N-CA-C 111.26 -0.736 . . . . 0.0 111.26 -179.216 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 41.4 ptt180 -151.02 160.02 44.19 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 120.682 0.277 . . . . 0.0 111.228 178.759 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 11.9 p -147.09 137.6 17.49 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.421 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.104 176.376 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 29.0 t -124.08 139.98 53.41 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.409 -174.729 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 93' ' ' CYS . . . . . . . . . . . . . 40.4 t -135.71 134.79 39.48 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.269 177.216 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 92.9 m -84.28 117.22 23.42 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.244 -176.116 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -90.66 59.31 3.31 Favored Glycine 0 CA--C 1.523 0.539 0 N-CA-C 111.222 -0.751 . . . . 0.0 111.222 -177.571 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -60.27 110.05 1.14 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.869 0.366 . . . . 0.0 111.233 -179.098 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 1.9 mp -119.97 131.05 55.05 Favored 'General case' 0 C--O 1.236 0.346 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.171 174.435 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 98' ' ' MET . . . . . . . . . . . . . 13.8 tmm? -109.41 140.07 43.59 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.372 -0.377 . . . . 0.0 111.185 -174.792 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 99' ' ' VAL . . . . . 0.452 ' HA ' ' O ' ' A' ' 19' ' ' ILE . 95.8 t -116.58 131.91 67.79 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 CA-C-N 116.158 -0.473 . . . . 0.0 111.215 -178.26 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 65.4 tt0 -108.03 130.05 55.1 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.261 177.641 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -58.74 127.49 32.42 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.142 177.625 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 102' ' ' VAL . . . . . 0.628 HG13 ' O ' ' A' ' 102' ' ' VAL . 7.2 p -100.01 97.13 5.48 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.241 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.298 -178.081 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 99.3 m-20 -76.77 -8.06 56.58 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.203 -178.28 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 104' ' ' GLN . . . . . . . . . . . . . 99.7 mm-40 -85.16 -5.66 59.32 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.299 -0.41 . . . . 0.0 111.346 179.493 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 61.6 ttm-85 -71.28 116.35 11.5 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.875 -0.602 . . . . 0.0 111.274 177.607 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . -71.66 -18.05 76.99 Favored Glycine 0 CA--C 1.524 0.645 0 N-CA-C 111.307 -0.717 . . . . 0.0 111.307 -177.99 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 99.9 mtt180 -90.11 -3.46 57.9 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.805 0.336 . . . . 0.0 111.149 179.978 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 43.4 t . . . . . 1 C--O 0.999 -12.127 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.194 -179.806 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.524 0.614 0 N-CA-C 111.144 -0.782 . . . . 0.0 111.144 . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 65.14 -125.02 29.12 Favored Glycine 0 CA--C 1.523 0.586 0 N-CA-C 111.376 -0.69 . . . . 0.0 111.376 179.863 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 44.2 t -149.96 129.99 13.5 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-O 120.636 0.255 . . . . 0.0 111.307 179.671 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 62.2 t30 55.67 45.85 23.83 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.304 -0.407 . . . . 0.0 111.119 -178.125 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -155.0 154.98 33.36 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.167 -177.983 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 86.8 m -145.33 125.1 13.37 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.317 -178.39 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -64.38 145.3 98.4 Favored Pre-proline 0 C--N 1.326 -0.438 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.263 178.504 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 77.5 Cg_exo -53.92 132.15 48.21 Favored 'Trans proline' 0 N--CA 1.457 -0.643 0 C-N-CA 121.657 1.572 . . . . 0.0 111.126 -179.856 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 84.3 t80 -149.48 126.58 11.3 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.218 177.166 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 70.4 m-85 -70.21 87.01 0.58 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.159 179.775 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 16.6 pt-20 -64.05 -20.1 65.69 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.169 172.816 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 67.0 ttp -136.17 113.42 10.64 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.075 -0.512 . . . . 0.0 111.243 167.426 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 99.6 mttt -94.86 166.11 12.13 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.061 -0.518 . . . . 0.0 111.296 -170.661 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 99.5 mt -81.77 156.97 24.68 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.287 -0.415 . . . . 0.0 111.294 177.399 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 97.6 mttt -114.89 176.86 4.87 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.344 -0.389 . . . . 0.0 111.214 175.281 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 19.6 t-160 -74.94 109.19 8.2 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.092 -0.504 . . . . 0.0 111.12 173.275 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 74.1 m-85 -97.29 143.46 28.04 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.411 -0.359 . . . . 0.0 111.198 -173.168 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 99.1 mttt -135.36 140.09 44.75 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.02 -0.536 . . . . 0.0 111.273 177.622 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 10.6 tp -148.54 149.98 14.59 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.087 -177.426 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 65.2 m-85 -76.44 145.37 39.34 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.263 173.607 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 88.7 tt0 -53.73 123.93 13.72 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.062 -178.678 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 101.31 -15.33 57.72 Favored Glycine 0 CA--C 1.524 0.6 0 N-CA-C 111.333 -0.707 . . . . 0.0 111.333 172.205 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 97.8 mmm -85.03 154.63 60.75 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 120.73 0.3 . . . . 0.0 111.334 -175.832 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 71.8 Cg_endo -76.01 154.99 38.22 Favored 'Trans proline' 0 C--N 1.329 -0.484 0 C-N-CA 121.631 1.554 . . . . 0.0 111.134 179.985 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 57.7 t -133.68 125.29 49.4 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.23 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.119 178.391 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 88.7 m -127.34 122.89 34.97 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.11 -179.135 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 52.2 p90 -156.84 165.0 37.45 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.231 172.608 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 12.4 t -145.77 160.51 41.64 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.19 -171.854 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 9.8 t -136.8 147.59 46.68 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.346 -0.388 . . . . 0.0 111.189 179.523 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 43.1 ttm180 -124.32 134.82 53.07 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.856 0.36 . . . . 0.0 111.187 -174.838 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 82.0 t -125.59 129.01 72.8 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.362 0 CA-C-N 116.303 -0.408 . . . . 0.0 111.306 -173.737 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -92.54 64.99 4.33 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.071 -0.513 . . . . 0.0 111.258 178.69 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -105.87 161.17 14.5 Favored Glycine 0 CA--C 1.521 0.409 0 N-CA-C 111.242 -0.743 . . . . 0.0 111.242 -177.336 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 34' ' ' ASN . . . . . 0.456 ' HA ' ' C ' ' A' ' 35' ' ' PRO . 54.1 t-20 -155.0 109.27 2.3 Favored Pre-proline 0 CA--C 1.511 -0.553 0 CA-C-O 121.201 0.524 . . . . 0.0 110.944 178.046 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 35' ' ' PRO . . . . . 0.456 ' C ' ' HA ' ' A' ' 34' ' ' ASN . 24.6 Cg_exo -74.57 164.54 87.81 Favored 'Cis proline' 0 N--CA 1.457 -0.671 0 C-N-CA 121.653 -2.228 . . . . 0.0 111.264 9.183 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . 0.423 ' HA ' ' HD3' ' A' ' 37' ' ' PRO . 65.0 mmtt -54.65 117.01 12.26 Favored Pre-proline 0 C--N 1.331 -0.231 0 CA-C-N 116.044 -0.525 . . . . 0.0 111.041 -179.775 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 37' ' ' PRO . . . . . 0.423 ' HD3' ' HA ' ' A' ' 36' ' ' LYS . 50.7 Cg_exo -60.55 153.85 58.31 Favored 'Trans proline' 0 N--CA 1.458 -0.576 0 C-N-CA 121.609 1.539 . . . . 0.0 111.236 -178.329 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 98.8 mttt -87.87 70.0 9.5 Favored 'General case' 0 C--N 1.332 -0.166 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.283 175.778 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 94.2 mt -43.49 120.46 0.41 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.094 -172.813 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 74.4 m-85 -109.17 150.74 27.44 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.194 175.118 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 41' ' ' TRP . . . . . . . . . . . . . 92.4 m95 -115.93 142.52 46.68 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.244 172.967 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 41.2 p90 -150.9 145.81 25.88 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.167 170.086 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 12.3 tmtt? -110.01 110.08 20.88 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.215 -172.704 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 89.8 m-20 53.92 33.26 16.9 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.202 -176.504 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 97.0 -1.73 61.21 Favored Glycine 0 CA--C 1.526 0.763 0 N-CA-C 111.136 -0.786 . . . . 0.0 111.136 176.672 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 96.9 mttt -94.92 100.22 12.12 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 120.858 0.361 . . . . 0.0 111.215 -178.161 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 66.4 tt0 -50.99 128.0 20.28 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.28 -178.527 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 95.3 mt -97.25 124.97 50.42 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.364 0 CA-C-N 116.383 -0.371 . . . . 0.0 111.245 -178.949 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 30.5 t -84.73 130.21 53.87 Favored Pre-proline 0 C--N 1.327 -0.402 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.22 173.934 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 58.7 Cg_exo -54.16 137.72 70.64 Favored 'Trans proline' 0 N--CA 1.456 -0.679 0 C-N-CA 121.622 1.548 . . . . 0.0 111.154 178.244 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 97.8 mttt 59.35 57.01 3.53 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.299 178.647 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 15.3 t -95.01 -161.66 0.88 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.252 178.393 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 99.6 m-20 -55.25 -45.19 76.06 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 121.013 0.435 . . . . 0.0 111.171 -178.167 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 54' ' ' HIS . . . . . . . . . . . . . 99.5 m-70 -136.5 -5.24 2.02 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 115.983 -0.553 . . . . 0.0 111.2 -179.856 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 55' ' ' TYR . . . . . . . . . . . . . 22.1 m-30 -107.36 95.2 5.54 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.34 -0.391 . . . . 0.0 111.158 -172.921 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 98.2 m -97.43 125.01 41.83 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.064 -179.811 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 96.8 mt -114.81 132.45 63.98 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.149 179.119 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 69.9 tp60 -128.56 110.06 11.93 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.233 177.019 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 39.6 ttm105 -101.16 100.09 10.59 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.251 -175.368 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 67.0 t0 -71.63 124.04 23.83 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-O 120.894 0.378 . . . . 0.0 111.189 170.74 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 97.5 mt -73.75 -2.68 24.4 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.271 -171.363 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 97.7 m-20 -74.94 -10.21 59.27 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.123 173.751 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 115.71 27.45 3.03 Favored Glycine 0 CA--C 1.522 0.529 0 N-CA-C 111.086 -0.806 . . . . 0.0 111.086 174.158 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 57.0 m -135.08 135.21 41.07 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-O 120.631 0.253 . . . . 0.0 111.281 179.83 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 65' ' ' CYS . . . . . . . . . . . . . 49.5 t -134.1 127.94 33.15 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.118 179.896 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 29.7 t -106.44 142.79 35.53 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.249 -178.14 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 59.8 tp -117.09 123.85 47.79 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.222 173.983 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 80.5 t60 -117.65 122.05 42.52 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.286 179.512 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 96.1 m -99.12 119.9 38.61 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.133 171.753 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 80.1 m -64.71 -45.26 87.32 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.191 -175.628 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -144.94 88.05 1.87 Allowed 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.254 -176.51 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 47.5 t -77.23 108.92 10.68 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.126 -177.118 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 52.6 p -110.46 -178.19 3.43 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.153 179.908 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 97.0 mt -61.94 -27.85 69.13 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.906 -0.588 . . . . 0.0 111.396 -177.991 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 98.9 m-20 -76.83 -17.49 58.97 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.067 175.994 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 68.0 m-20 -95.02 -16.05 23.01 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.217 178.669 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 58.0 t0 -55.04 128.22 32.64 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.314 174.861 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 161.17 -164.05 34.68 Favored Glycine 0 CA--C 1.521 0.44 0 N-CA-C 111.282 -0.727 . . . . 0.0 111.282 -179.713 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 74.4 m-80 -105.05 107.78 18.94 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.866 0.365 . . . . 0.0 111.242 -174.035 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 80' ' ' TYR . . . . . . . . . . . . . 50.8 m-85 -84.82 71.24 10.89 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.237 178.321 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 86.0 m -65.02 133.54 51.89 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.229 -171.321 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 5.8 tt -104.03 141.73 19.07 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.328 -0.396 . . . . 0.0 110.993 177.599 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 83' ' ' MET . . . . . . . . . . . . . 60.0 ttm -134.28 117.02 15.96 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.015 -0.539 . . . . 0.0 111.291 179.145 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -94.55 91.6 6.67 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.9 0.381 . . . . 0.0 111.207 179.448 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -96.87 127.54 42.95 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.25 -175.113 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 86' ' ' ASN . . . . . 0.481 ' CB ' ' CD ' ' A' ' 87' ' ' PRO . 22.8 p-10 -142.75 179.26 1.23 Allowed Pre-proline 0 C--N 1.328 -0.349 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.063 172.572 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 87' ' ' PRO . . . . . 0.481 ' CD ' ' CB ' ' A' ' 86' ' ' ASN . 76.9 Cg_exo -59.04 -26.03 80.07 Favored 'Trans proline' 0 N--CA 1.457 -0.635 0 C-N-CA 121.739 1.626 . . . . 0.0 111.262 -175.031 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 96.8 mm-40 -92.92 -5.02 51.73 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.058 -0.519 . . . . 0.0 111.309 -170.412 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 142.05 -164.0 26.92 Favored Glycine 0 CA--C 1.522 0.473 0 N-CA-C 111.378 -0.689 . . . . 0.0 111.378 -179.853 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 40.2 ptt180 -149.83 160.0 43.91 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.652 0.263 . . . . 0.0 111.27 -179.308 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 14.0 p -150.33 138.97 14.89 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.423 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.191 176.168 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 89.0 p -120.15 153.97 35.44 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.3 -0.409 . . . . 0.0 111.247 -172.685 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 93' ' ' CYS . . . . . . . . . . . . . 50.5 t -151.44 136.65 17.53 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.34 176.637 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 88.9 m -69.34 128.95 38.39 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.311 -0.404 . . . . 0.0 111.351 -174.971 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -101.74 56.15 0.71 Allowed Glycine 0 CA--C 1.524 0.652 0 N-CA-C 111.256 -0.738 . . . . 0.0 111.256 176.832 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 79.3 ttt180 -53.22 115.15 1.74 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.744 0.306 . . . . 0.0 111.287 -176.407 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 60.8 tp -123.81 110.3 14.71 Favored 'General case' 0 C--O 1.235 0.32 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.105 172.428 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 98' ' ' MET . . . . . . . . . . . . . 98.7 mmm -97.98 141.75 30.56 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.15 -179.376 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 89.3 t -116.48 124.81 73.07 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.416 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.191 -176.749 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 51.1 tp60 -82.59 121.4 26.76 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.214 175.676 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -59.6 133.78 56.41 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.251 -0.432 . . . . 0.0 111.292 178.695 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 102' ' ' VAL . . . . . . . . . . . . . 79.4 t -118.77 111.11 32.32 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.25 178.109 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 99.5 m-20 -71.91 -18.91 61.99 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.119 -174.805 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 104' ' ' GLN . . . . . . . . . . . . . 99.8 mm-40 -88.95 -4.98 58.29 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.432 -179.073 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 24.4 tpp180 -69.93 109.96 4.77 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.947 -0.569 . . . . 0.0 111.394 178.677 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . -73.31 -17.18 78.75 Favored Glycine 0 CA--C 1.525 0.684 0 N-CA-C 111.093 -0.803 . . . . 0.0 111.093 -177.069 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 99.8 mtt180 -93.77 -0.12 56.06 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-O 120.762 0.315 . . . . 0.0 111.143 -179.386 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 39.1 t . . . . . 1 C--O 0.999 -12.102 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.125 -177.323 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.457 -0.088 0 CA-C-O 120.799 0.333 . . . . 0.0 111.075 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 35.9 Cg_endo -65.28 141.53 69.09 Favored 'Trans proline' 0 N--CA 1.457 -0.668 0 C-N-CA 121.627 1.551 . . . . 0.0 111.211 -179.184 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 90.0 t80 -154.98 124.97 6.63 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.342 -0.39 . . . . 0.0 111.184 -179.1 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 90.7 m-85 -74.86 90.23 2.38 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.195 176.643 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 21.9 pt-20 -70.66 -14.67 62.56 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.053 -0.522 . . . . 0.0 111.208 176.248 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 12' ' ' MET . . . . . 0.41 ' HB3' ' HB3' ' A' ' 30' ' ' ARG . 64.5 ttp -139.36 103.63 4.78 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.28 167.423 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 98.7 mttt -88.58 163.58 15.78 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.223 -172.872 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 96.4 mt -78.74 166.85 22.01 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.267 173.355 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 63.9 pttt -133.51 179.82 5.98 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.335 179.209 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 18.6 t-160 -72.58 108.36 5.58 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.29 -0.414 . . . . 0.0 111.025 177.697 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 76.6 m-85 -97.87 147.55 24.33 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.323 -0.399 . . . . 0.0 111.282 -178.416 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 99.1 mttt -133.98 139.7 46.25 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.268 176.875 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 10.0 tp -148.83 151.85 12.74 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.201 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.071 -177.585 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 64.7 m-85 -78.98 145.99 33.63 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.245 172.955 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 88.5 tt0 -53.97 124.98 17.07 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.2 -178.226 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 102.52 -16.53 54.88 Favored Glycine 0 CA--C 1.524 0.63 0 N-CA-C 111.213 -0.755 . . . . 0.0 111.213 172.252 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 97.9 mmm -84.89 153.54 60.5 Favored Pre-proline 0 C--N 1.33 -0.253 0 CA-C-O 120.894 0.378 . . . . 0.0 111.285 -175.641 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 72.4 Cg_endo -75.68 153.59 38.71 Favored 'Trans proline' 0 C--N 1.328 -0.537 0 C-N-CA 121.595 1.53 . . . . 0.0 111.138 179.111 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 47.2 t -135.02 128.0 49.02 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.198 0 CA-C-N 116.054 -0.521 . . . . 0.0 111.07 178.467 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 84.8 m -120.73 125.04 46.63 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.033 178.823 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 37.0 p90 -149.94 158.75 44.48 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.082 -0.508 . . . . 0.0 111.122 176.043 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 11.4 t -151.97 157.79 42.23 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.154 -172.22 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 24.6 t -142.58 141.96 32.08 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.313 -0.403 . . . . 0.0 111.135 -176.488 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 30' ' ' ARG . . . . . 0.41 ' HB3' ' HB3' ' A' ' 12' ' ' MET . 57.6 ttt85 -121.88 136.33 54.92 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.33 -0.396 . . . . 0.0 111.2 -173.446 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 28.3 m -119.05 159.97 19.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.291 179.449 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -119.95 32.84 5.86 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.278 177.316 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -76.43 161.2 51.47 Favored Glycine 0 CA--C 1.522 0.471 0 N-CA-C 111.094 -0.802 . . . . 0.0 111.094 -176.438 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 34' ' ' ASN . . . . . 0.44 ' HA ' ' C ' ' A' ' 35' ' ' PRO . 54.1 t-20 -151.3 110.0 3.0 Favored Pre-proline 0 CA--C 1.51 -0.579 0 CA-C-O 121.14 0.495 . . . . 0.0 111.02 179.46 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 35' ' ' PRO . . . . . 0.44 ' C ' ' HA ' ' A' ' 34' ' ' ASN . 24.6 Cg_exo -74.87 164.8 87.45 Favored 'Cis proline' 0 N--CA 1.456 -0.686 0 C-N-CA 121.729 -2.196 . . . . 0.0 111.154 9.555 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 64.4 mmtt -52.91 119.01 14.94 Favored Pre-proline 0 C--N 1.332 -0.187 0 CA-C-N 116.026 -0.534 . . . . 0.0 111.123 179.516 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 37' ' ' PRO . . . . . 0.578 ' HA ' ' HB3' ' A' ' 86' ' ' ASN . 53.6 Cg_exo -57.24 148.07 72.69 Favored 'Trans proline' 0 N--CA 1.458 -0.576 0 C-N-CA 121.676 1.584 . . . . 0.0 111.158 -178.096 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 99.6 mttt -79.98 69.88 6.44 Favored 'General case' 0 C--N 1.332 -0.179 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.403 175.582 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 41.1 mm -42.63 121.68 0.43 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.054 -0.521 . . . . 0.0 111.128 -170.405 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 79.9 m-85 -109.53 141.6 41.78 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.217 174.645 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 41' ' ' TRP . . . . . . . . . . . . . 91.7 m95 -113.19 138.04 50.56 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 121.072 0.463 . . . . 0.0 111.114 175.235 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 35.5 p90 -153.83 146.18 23.93 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.066 -0.515 . . . . 0.0 111.326 172.072 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 12.5 tmtt? -110.28 110.0 20.65 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.207 -174.861 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 95.8 m-20 54.91 32.96 18.95 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.24 -176.245 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 95.2 0.75 63.15 Favored Glycine 0 CA--C 1.525 0.693 0 N-CA-C 111.102 -0.799 . . . . 0.0 111.102 176.869 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 97.1 mttt -95.02 100.58 12.39 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.756 0.313 . . . . 0.0 111.206 -179.182 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 66.4 tt0 -50.86 128.93 22.28 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.317 -0.402 . . . . 0.0 111.179 -177.983 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 95.8 mt -99.6 125.03 53.29 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.178 -178.393 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 49' ' ' SER . . . . . 0.42 ' HA ' ' HD3' ' A' ' 50' ' ' PRO . 30.7 t -86.85 133.27 39.82 Favored Pre-proline 0 C--N 1.326 -0.456 0 CA-C-N 116.31 -0.404 . . . . 0.0 111.24 174.331 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 50' ' ' PRO . . . . . 0.42 ' HD3' ' HA ' ' A' ' 49' ' ' SER . 55.5 Cg_exo -54.8 137.36 74.72 Favored 'Trans proline' 0 N--CA 1.457 -0.65 0 C-N-CA 121.688 1.592 . . . . 0.0 111.244 178.805 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 98.0 mttt 58.5 57.0 4.02 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.238 178.085 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 14.9 t -95.01 -161.6 0.87 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.097 -0.501 . . . . 0.0 111.186 178.813 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 99.5 m-20 -55.03 -45.41 75.18 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.192 -177.798 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 54' ' ' HIS . . . . . . . . . . . . . 99.5 m-70 -136.87 -5.04 1.94 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.355 -179.972 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 55' ' ' TYR . . . . . . . . . . . . . 22.0 m-30 -107.55 97.5 7.23 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.059 -172.772 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 97.4 m -98.49 121.2 40.14 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.227 179.726 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 98.4 mt -106.67 131.31 56.82 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.239 178.455 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 70.8 tp60 -130.05 109.64 11.01 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.292 -0.413 . . . . 0.0 111.142 173.212 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 80.9 mtm180 -102.61 111.26 23.5 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.272 -177.367 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 65.2 t0 -85.43 131.36 34.4 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.294 -0.412 . . . . 0.0 111.19 174.54 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 95.3 mt -65.38 -16.04 63.2 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.315 -177.146 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 24.4 t70 -62.15 -28.48 69.68 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.088 177.382 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 129.8 -0.42 5.79 Favored Glycine 0 CA--C 1.523 0.565 0 N-CA-C 111.125 -0.79 . . . . 0.0 111.125 175.359 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 98.0 m -106.55 122.25 45.93 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.783 0.325 . . . . 0.0 111.259 178.545 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 65' ' ' CYS . . . . . . . . . . . . . 89.1 m -121.39 138.99 54.02 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.077 177.623 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 49.5 m -120.01 146.75 45.57 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.212 -173.566 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 55.5 tp -128.72 120.04 25.73 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.034 -0.53 . . . . 0.0 111.154 173.859 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 83.3 t60 -110.62 128.76 55.82 Favored 'General case' 0 N--CA 1.455 -0.188 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.351 -177.858 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 97.9 m -100.36 116.65 32.83 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.187 171.719 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 80.4 m -64.03 -44.55 92.18 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.328 -175.467 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -143.11 88.02 2.01 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.101 -0.5 . . . . 0.0 111.14 -176.895 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 48.4 t -75.64 108.72 8.67 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.185 -176.486 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 57.9 p -109.74 -177.7 3.34 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.175 178.999 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 96.3 mt -63.01 -25.96 68.63 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.069 -0.514 . . . . 0.0 111.254 -177.522 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 99.8 m-20 -79.05 -17.41 55.28 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.12 175.609 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 67.8 m-20 -94.85 -13.53 25.43 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.309 178.069 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 56.7 t0 -58.21 126.27 26.79 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.247 172.771 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 161.44 -163.87 34.74 Favored Glycine 0 CA--C 1.523 0.558 0 N-CA-C 111.248 -0.741 . . . . 0.0 111.248 -178.374 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 73.2 m-80 -106.58 110.85 23.16 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.852 0.358 . . . . 0.0 111.072 -175.201 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 80' ' ' TYR . . . . . . . . . . . . . 61.2 m-85 -84.4 69.97 10.59 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.255 177.397 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 88.6 m -65.02 134.39 53.76 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.224 -172.782 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 2.7 tt -109.95 139.11 34.61 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.308 -0.406 . . . . 0.0 111.144 177.595 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 83' ' ' MET . . . . . . . . . . . . . 65.2 ttp -121.47 120.02 33.71 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.22 -176.076 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -90.02 71.64 7.43 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.222 177.673 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -83.39 119.74 25.01 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.246 -0.433 . . . . 0.0 111.194 -176.561 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 86' ' ' ASN . . . . . 0.669 ' HB2' ' CD ' ' A' ' 87' ' ' PRO . 27.5 p-10 -145.04 -179.65 0.99 Allowed Pre-proline 0 C--N 1.328 -0.332 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.084 174.458 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 87' ' ' PRO . . . . . 0.669 ' CD ' ' HB2' ' A' ' 86' ' ' ASN . 54.9 Cg_exo -61.45 -18.46 59.56 Favored 'Trans proline' 0 N--CA 1.456 -0.71 0 C-N-CA 121.728 1.619 . . . . 0.0 111.353 -174.14 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 96.0 mm-40 -100.16 9.95 42.01 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.983 -0.553 . . . . 0.0 111.229 -174.594 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 121.79 -168.37 14.54 Favored Glycine 0 CA--C 1.523 0.586 0 N-CA-C 111.283 -0.727 . . . . 0.0 111.283 178.407 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 40.9 ptt180 -144.92 146.98 32.24 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 120.693 0.282 . . . . 0.0 111.178 -177.799 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 52.3 t -135.23 135.75 51.96 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.388 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.199 176.816 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 73.7 m -103.07 141.12 36.37 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.225 -179.571 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 93' ' ' CYS . . . . . . . . . . . . . 45.9 t -136.02 135.06 39.15 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.295 -0.411 . . . . 0.0 111.362 173.643 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 89.0 m -77.41 125.42 29.31 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.302 -0.408 . . . . 0.0 111.22 -170.887 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -100.54 58.55 0.72 Allowed Glycine 0 CA--C 1.523 0.589 0 N-CA-C 111.158 -0.777 . . . . 0.0 111.158 175.921 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 80.6 ttt180 -58.39 124.58 20.01 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 120.665 0.269 . . . . 0.0 111.364 -173.857 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 58.8 tp -132.16 114.19 14.2 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.077 173.056 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 98' ' ' MET . . . . . . . . . . . . . 98.3 mmm -100.01 140.01 34.85 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.206 179.555 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 85.1 t -115.71 124.04 71.73 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.295 -0.411 . . . . 0.0 111.228 -176.075 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 52.5 tp60 . . . . . 0 C--N 1.329 -0.299 0 CA-C-O 121.062 0.458 . . . . 0.0 111.163 175.305 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.527 0.067 0 CA-C-O 120.676 0.274 . . . . 0.0 111.153 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 75.3 Cg_exo -54.32 129.83 36.65 Favored 'Trans proline' 0 C--N 1.328 -0.536 0 C-N-CA 121.606 1.537 . . . . 0.0 111.137 -179.896 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 92.3 t80 -155.08 126.39 7.27 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.922 0.391 . . . . 0.0 111.181 172.931 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 66.3 m-85 -66.8 87.9 0.14 Allowed 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.224 -179.113 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 17.2 pt-20 -61.28 -24.93 66.76 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.134 -0.484 . . . . 0.0 111.34 176.146 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 12' ' ' MET . . . . . 0.404 ' O ' ' SG ' ' A' ' 29' ' ' CYS . 67.9 ttp -126.22 109.7 12.62 Favored 'General case' 0 C--N 1.332 -0.172 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.147 170.44 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 98.3 mttt -97.9 168.16 10.47 Favored 'General case' 0 C--O 1.233 0.235 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.229 -170.397 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 76.5 mt -88.72 160.17 17.45 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.233 -177.783 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 99.2 mttt -118.42 167.04 11.94 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.249 178.344 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 20.4 t-160 -65.33 111.27 2.95 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.099 174.704 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 71.8 m-85 -97.28 141.63 30.15 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.294 -0.412 . . . . 0.0 111.335 -175.122 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 96.4 mttt -131.01 102.63 6.12 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.315 -0.402 . . . . 0.0 111.18 177.9 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 47.5 mm -120.75 140.37 45.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.067 -172.017 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 66.4 m-85 -71.73 149.21 45.62 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.225 -177.345 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 88.1 tt0 -54.99 122.76 11.6 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.188 -179.837 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 90.6 -5.65 82.35 Favored Glycine 0 CA--C 1.524 0.599 0 N-CA-C 111.194 -0.762 . . . . 0.0 111.194 174.665 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 26.7 ttt -84.54 134.75 41.87 Favored Pre-proline 0 C--N 1.327 -0.388 0 CA-C-O 120.74 0.305 . . . . 0.0 111.248 -177.34 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 74.2 Cg_endo -70.83 149.31 59.84 Favored 'Trans proline' 0 C--N 1.326 -0.626 0 C-N-CA 121.619 1.546 . . . . 0.0 111.237 175.208 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 9.7 p -151.66 135.27 7.96 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.118 179.332 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 91.0 m -119.57 130.11 54.98 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.164 175.317 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 31.2 p90 -150.12 154.56 38.29 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.281 177.585 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 11.6 t -146.97 158.96 44.07 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.309 -0.405 . . . . 0.0 111.233 -165.35 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 29' ' ' CYS . . . . . 0.423 ' HB3' HD13 ' A' ' 82' ' ' ILE . 2.9 t -141.06 148.73 40.65 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.308 178.429 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 44.3 ttm180 -124.42 136.92 54.43 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.334 -0.393 . . . . 0.0 111.169 -171.805 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 91.2 t -116.5 129.55 72.78 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.417 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.175 -176.748 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -86.49 65.36 9.0 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.46 173.967 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -107.16 154.01 16.71 Favored Glycine 0 CA--C 1.521 0.451 0 N-CA-C 111.175 -0.77 . . . . 0.0 111.175 -174.643 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 34' ' ' ASN . . . . . 0.48 ' HA ' ' HA ' ' A' ' 35' ' ' PRO . 54.1 t-20 -158.07 108.15 1.73 Allowed Pre-proline 0 CA--C 1.51 -0.564 0 CA-C-O 121.067 0.461 . . . . 0.0 110.985 176.87 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 35' ' ' PRO . . . . . 0.48 ' HA ' ' HA ' ' A' ' 34' ' ' ASN . 23.1 Cg_exo -74.63 168.07 78.23 Favored 'Cis proline' 0 C--N 1.327 -0.596 0 C-N-CA 121.588 -2.255 . . . . 0.0 111.13 7.77 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 36' ' ' LYS . . . . . 0.467 ' HD2' ' N ' ' A' ' 36' ' ' LYS . 4.1 mptp? -59.96 117.43 23.4 Favored Pre-proline 0 C--N 1.333 -0.135 0 CA-C-N 115.949 -0.569 . . . . 0.0 111.159 -179.774 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 49.6 Cg_endo -73.63 169.11 23.1 Favored 'Trans proline' 0 N--CA 1.459 -0.53 0 C-N-CA 121.577 1.518 . . . . 0.0 111.204 -173.099 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 99.1 mttt -78.37 85.33 4.5 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.411 178.647 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 39' ' ' ILE . . . . . 0.459 HG12 ' HB2' ' A' ' 84' ' ' ALA . 42.5 mt -82.6 128.27 38.88 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.065 -176.52 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 39.1 p90 -148.51 160.54 42.97 Favored 'General case' 0 C--O 1.233 0.215 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.2 -177.556 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 41' ' ' TRP . . . . . . . . . . . . . 86.3 m95 -102.09 148.3 25.56 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 121.003 0.43 . . . . 0.0 111.09 177.429 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 46.4 p90 -149.84 145.99 26.88 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.002 -0.545 . . . . 0.0 111.223 165.058 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 13.4 tmtt? -110.54 110.04 20.61 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.162 -173.755 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 88.4 m-20 52.3 34.1 14.08 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.306 -0.407 . . . . 0.0 111.155 -177.861 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 98.91 -1.0 57.76 Favored Glycine 0 CA--C 1.527 0.819 0 N-CA-C 111.026 -0.83 . . . . 0.0 111.026 175.878 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 96.9 mttt -100.84 97.42 8.04 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.649 0.261 . . . . 0.0 111.097 -177.607 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 65.9 tt0 -52.92 129.88 31.71 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.202 -178.591 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 88.7 mt -95.03 125.02 47.77 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.237 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.169 -176.79 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 30.3 t -78.07 126.5 83.59 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.099 177.373 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 50.1 Cg_exo -55.19 143.54 74.52 Favored 'Trans proline' 0 N--CA 1.457 -0.662 0 C-N-CA 121.589 1.526 . . . . 0.0 111.241 177.265 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 98.1 mttt 56.41 47.57 18.67 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.301 175.419 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 54.1 p -88.66 -169.82 2.69 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.258 176.474 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 99.3 m-20 -60.09 -39.38 85.91 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.189 -175.783 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 54' ' ' HIS . . . . . . . . . . . . . 100.0 m-70 -133.02 -7.38 3.07 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.07 -0.514 . . . . 0.0 111.282 -171.444 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 55' ' ' TYR . . . . . . . . . . . . . 91.2 m-85 -125.18 105.79 9.41 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 121.114 0.483 . . . . 0.0 111.053 -177.713 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 96.2 m -103.61 124.3 48.55 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.047 -0.524 . . . . 0.0 111.191 178.198 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 93.2 mt -110.94 121.97 64.58 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.244 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.198 -178.706 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 71.7 tp60 -105.03 115.94 31.11 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.203 174.757 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 50.1 mtp180 -104.4 89.57 3.27 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.191 -173.99 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 60' ' ' ASP . . . . . 0.415 ' HB3' ' HB ' ' A' ' 64' ' ' THR . 66.2 t0 -65.23 124.49 22.32 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.323 -0.399 . . . . 0.0 111.166 175.614 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 95.6 mt -69.96 -9.52 55.4 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.154 -173.308 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 97.0 m-20 -69.69 -17.95 63.52 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.361 -0.381 . . . . 0.0 111.104 174.765 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 117.17 28.56 2.37 Favored Glycine 0 CA--C 1.523 0.586 0 N-CA-C 111.087 -0.805 . . . . 0.0 111.087 178.639 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 64' ' ' THR . . . . . 0.415 ' HB ' ' HB3' ' A' ' 60' ' ' ASP . 60.7 m -126.44 137.02 53.36 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-O 120.831 0.348 . . . . 0.0 111.235 179.837 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 65' ' ' CYS . . . . . . . . . . . . . 33.7 t -130.92 126.73 36.87 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.101 -179.201 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 34.2 t -116.85 135.63 53.58 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.229 -176.621 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 60.2 tp -113.16 123.08 49.4 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.103 -0.499 . . . . 0.0 111.112 178.164 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 68.8 t60 -108.93 122.51 47.37 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.277 175.115 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 94.3 m -101.68 124.66 47.69 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.039 173.79 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 85.7 m -69.7 -44.2 70.87 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.006 -0.543 . . . . 0.0 111.178 -176.134 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -144.97 88.93 1.92 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.229 -176.755 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 30.1 t -74.34 80.12 1.86 Allowed 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.965 -178.766 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 66.1 p -83.72 172.29 12.38 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.172 179.331 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 34.2 tp -58.8 -34.89 72.0 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.097 -0.501 . . . . 0.0 111.354 -172.915 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 99.3 m-20 -68.26 -17.95 64.42 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.13 -0.487 . . . . 0.0 111.244 179.458 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 72.6 m-20 -91.64 -3.28 56.53 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.203 -179.82 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 55.3 t0 -63.87 131.3 47.34 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.241 178.662 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 162.2 -161.89 33.83 Favored Glycine 0 CA--C 1.523 0.537 0 N-CA-C 111.241 -0.744 . . . . 0.0 111.241 178.785 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 75.6 m-80 -105.11 105.09 14.98 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 120.848 0.356 . . . . 0.0 111.139 -173.687 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 80' ' ' TYR . . . . . . . . . . . . . 33.5 m-85 -84.2 69.18 10.38 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.132 177.435 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 87.0 m -66.07 132.62 48.96 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.125 -176.535 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 82' ' ' ILE . . . . . 0.423 HD13 ' HB3' ' A' ' 29' ' ' CYS . 13.4 tt -109.92 138.15 38.91 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.372 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.208 176.804 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 83' ' ' MET . . . . . . . . . . . . . 54.7 ttm -132.74 139.81 47.77 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.266 -0.424 . . . . 0.0 111.372 -172.152 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 84' ' ' ALA . . . . . 0.459 ' HB2' HG12 ' A' ' 39' ' ' ILE . . . -119.0 145.98 45.39 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.289 -0.414 . . . . 0.0 111.169 170.702 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -146.94 130.0 16.41 Favored 'General case' 0 C--O 1.234 0.249 0 CA-C-N 116.058 -0.519 . . . . 0.0 111.163 -176.808 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 86' ' ' ASN . . . . . 0.632 ' HB2' ' CD ' ' A' ' 87' ' ' PRO . 37.8 p30 -152.3 177.7 1.82 Allowed Pre-proline 0 C--N 1.328 -0.357 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.13 172.841 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 87' ' ' PRO . . . . . 0.632 ' CD ' ' HB2' ' A' ' 86' ' ' ASN . 75.2 Cg_exo -57.23 -24.98 62.27 Favored 'Trans proline' 0 N--CA 1.456 -0.7 0 C-N-CA 121.8 1.666 . . . . 0.0 111.3 -176.559 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 96.1 mm-40 -89.88 -6.14 56.11 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.023 -0.535 . . . . 0.0 111.225 -171.209 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 144.33 -162.83 27.89 Favored Glycine 0 CA--C 1.521 0.468 0 N-CA-C 111.302 -0.719 . . . . 0.0 111.302 177.547 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 41.3 ptt180 -151.05 162.6 40.54 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.497 0.189 . . . . 0.0 111.278 -179.217 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 12.2 p -157.94 147.76 9.43 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.431 0 CA-C-N 116.345 -0.389 . . . . 0.0 111.062 -179.696 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 99.4 p -135.48 152.35 51.26 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.305 -178.833 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 93' ' ' CYS . . . . . . . . . . . . . 52.9 t -150.07 128.45 12.15 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.204 176.532 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 96.7 m -80.37 118.78 22.31 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.306 -171.433 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -90.67 60.27 3.22 Favored Glycine 0 CA--C 1.524 0.637 0 N-CA-C 111.111 -0.795 . . . . 0.0 111.111 -179.412 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 78.9 ttt180 -49.41 115.1 1.2 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.615 0.245 . . . . 0.0 111.268 -177.224 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 53.9 tp -121.86 105.1 10.05 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.123 175.481 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 98' ' ' MET . . . . . . . . . . . . . 98.7 mmm -95.83 144.95 25.75 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.11 -0.496 . . . . 0.0 111.262 177.415 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 94.4 t -113.26 131.14 65.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.314 -174.612 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 98.8 mm-40 . . . . . 0 C--N 1.331 -0.237 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.188 174.636 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.457 -0.08 0 CA-C-O 120.92 0.391 . . . . 0.0 111.063 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 36.2 Cg_endo -64.3 146.05 89.44 Favored 'Trans proline' 0 N--CA 1.458 -0.566 0 C-N-CA 121.686 1.59 . . . . 0.0 111.208 179.596 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 87.0 t80 -162.99 139.97 7.58 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.102 -177.259 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 71.8 m-85 -89.91 98.2 11.63 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.218 175.91 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 14.6 pt-20 -69.42 -20.04 63.79 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.013 -0.54 . . . . 0.0 111.298 175.379 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 67.4 ttp -136.34 113.63 10.71 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.192 169.588 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 98.1 mttt -100.39 166.56 10.89 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.276 -169.504 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 89.2 mt -83.45 170.25 14.67 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.236 177.93 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 64.0 pttt -135.02 -179.65 5.75 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.173 175.931 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 18.0 t-160 -73.74 108.91 6.85 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.086 -0.506 . . . . 0.0 111.273 176.278 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 76.9 m-85 -97.32 145.14 26.4 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.845 0.355 . . . . 0.0 111.168 -176.657 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 99.1 mttt -134.59 138.87 44.93 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.112 -0.495 . . . . 0.0 111.274 176.611 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 9.8 tp -148.47 151.59 13.14 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.218 -177.811 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 66.8 m-85 -78.48 146.03 34.65 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.292 -0.413 . . . . 0.0 111.27 172.867 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 87.7 tt0 -53.72 124.61 15.67 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.169 -178.433 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 102.03 -15.78 56.32 Favored Glycine 0 CA--C 1.525 0.683 0 N-CA-C 111.197 -0.761 . . . . 0.0 111.197 171.791 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 98.0 mmm -84.82 153.82 60.93 Favored Pre-proline 0 C--N 1.33 -0.261 0 CA-C-O 120.856 0.36 . . . . 0.0 111.291 -175.672 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 72.6 Cg_endo -75.36 153.08 39.82 Favored 'Trans proline' 0 N--CA 1.458 -0.604 0 C-N-CA 121.643 1.562 . . . . 0.0 111.19 179.56 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 46.2 t -135.22 127.35 47.26 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.039 179.238 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 92.4 m -121.48 126.46 49.3 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.956 178.895 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 31.1 p90 -153.22 158.51 41.82 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 116.09 -0.504 . . . . 0.0 111.088 174.563 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 9.8 t -149.78 159.66 44.18 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.153 -170.524 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 29.9 t -145.95 148.81 33.17 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.211 -178.576 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 78.8 ttt180 -129.09 138.47 51.86 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.333 -0.394 . . . . 0.0 111.12 -172.86 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 28.1 m -115.27 159.63 15.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.088 -0.506 . . . . 0.0 111.224 -176.016 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -145.0 77.96 1.55 Allowed 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.183 178.809 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -124.77 -171.92 13.43 Favored Glycine 0 CA--C 1.521 0.422 0 N-CA-C 111.34 -0.704 . . . . 0.0 111.34 177.295 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 34' ' ' ASN . . . . . 0.498 ' HA ' ' HA ' ' A' ' 35' ' ' PRO . 54.0 t-20 -156.88 106.24 1.94 Allowed Pre-proline 0 CA--C 1.51 -0.579 0 CA-C-O 121.34 0.59 . . . . 0.0 110.964 179.076 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 35' ' ' PRO . . . . . 0.498 ' HA ' ' HA ' ' A' ' 34' ' ' ASN . 27.5 Cg_exo -68.78 157.17 89.46 Favored 'Cis proline' 0 N--CA 1.457 -0.623 0 C-N-CA 121.587 -2.255 . . . . 0.0 111.136 3.892 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 98.6 mttt -58.61 132.03 85.66 Favored Pre-proline 0 C--N 1.331 -0.233 0 CA-C-N 116.032 -0.531 . . . . 0.0 111.081 -179.434 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 37' ' ' PRO . . . . . 0.618 ' HA ' ' HB3' ' A' ' 86' ' ' ASN . 77.2 Cg_exo -56.17 141.06 88.11 Favored 'Trans proline' 0 N--CA 1.459 -0.539 0 C-N-CA 121.527 1.485 . . . . 0.0 111.204 -175.315 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 99.3 mttt -85.13 87.46 7.38 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.263 172.977 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 81.0 mt -53.69 123.96 5.49 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.224 0 CA-C-N 116.134 -0.484 . . . . 0.0 111.232 -172.563 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 80.5 m-85 -116.94 144.9 44.01 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.288 170.971 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 41' ' ' TRP . . . . . . . . . . . . . 94.8 m95 -114.25 140.0 48.94 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 121.033 0.444 . . . . 0.0 111.113 176.887 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 39.6 p90 -152.68 146.09 24.86 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 115.975 -0.557 . . . . 0.0 111.271 169.59 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 13.0 tmtt? -110.08 110.05 20.81 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.243 -174.752 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 93.8 m-20 53.84 33.54 17.3 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.119 -176.124 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 96.22 -0.7 62.17 Favored Glycine 0 CA--C 1.524 0.656 0 N-CA-C 111.205 -0.758 . . . . 0.0 111.205 176.643 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 96.9 mttt -94.85 100.03 11.98 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.9 0.381 . . . . 0.0 111.208 -178.726 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 66.4 tt0 -50.98 129.13 23.08 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.291 -0.413 . . . . 0.0 111.177 -178.111 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 95.6 mt -99.11 124.01 52.11 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.181 -178.132 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 49' ' ' SER . . . . . 0.413 ' HA ' ' HD3' ' A' ' 50' ' ' PRO . 30.5 t -90.0 136.62 28.79 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-N 116.296 -0.411 . . . . 0.0 111.127 174.82 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 50' ' ' PRO . . . . . 0.413 ' HD3' ' HA ' ' A' ' 49' ' ' SER . 53.6 Cg_exo -54.9 136.82 73.94 Favored 'Trans proline' 0 N--CA 1.457 -0.623 0 C-N-CA 121.551 1.501 . . . . 0.0 111.244 178.59 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 97.8 mttt 59.04 57.66 3.45 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.318 -0.401 . . . . 0.0 111.296 177.741 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 13.4 t -94.99 -161.76 0.89 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.136 -0.483 . . . . 0.0 111.152 178.883 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 99.4 m-20 -54.87 -45.72 74.65 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-O 121.046 0.45 . . . . 0.0 111.274 -177.801 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 54' ' ' HIS . . . . . . . . . . . . . 99.0 m-70 -136.73 -5.26 1.97 Allowed 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.199 178.996 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 55' ' ' TYR . . . . . . . . . . . . . 22.0 m-30 -106.07 95.25 5.65 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.077 -173.254 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 97.9 m -98.3 124.8 43.13 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.267 -179.242 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 96.7 mt -110.15 124.75 67.16 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-O 120.921 0.391 . . . . 0.0 111.137 179.975 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 85.1 mt-30 -111.16 136.27 50.47 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.115 173.256 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 94.1 mtt-85 -118.46 105.74 11.98 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.141 -172.127 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 67.8 t0 -84.41 122.25 28.7 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.286 171.32 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 95.1 mt -66.52 -12.29 56.84 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.112 -171.353 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 95.5 m-20 -64.98 -21.6 66.87 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.939 0.4 . . . . 0.0 111.17 177.493 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 123.16 18.93 3.02 Favored Glycine 0 CA--C 1.523 0.547 0 N-CA-C 111.136 -0.785 . . . . 0.0 111.136 -179.855 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 61.4 m -119.55 139.95 51.32 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-O 120.748 0.309 . . . . 0.0 111.315 -179.714 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 65' ' ' CYS . . . . . . . . . . . . . 36.4 t -135.05 134.14 40.07 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.104 176.706 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 32.3 t -114.97 135.78 53.85 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.261 -176.967 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 64.2 tp -114.9 119.66 37.32 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.093 -0.503 . . . . 0.0 111.097 177.952 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 82.5 t60 -111.74 126.05 54.64 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.272 -178.424 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 97.4 m -98.04 115.09 27.51 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.016 -0.538 . . . . 0.0 111.149 171.114 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 82.7 m -61.94 -44.74 96.13 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.29 -175.337 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -143.42 88.35 2.0 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.221 -177.096 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 48.0 t -75.0 107.2 6.91 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.155 -176.074 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 60.4 p -106.67 -178.96 3.8 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.163 -0.472 . . . . 0.0 111.131 178.968 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 96.5 mt -62.65 -25.45 68.13 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.335 -178.469 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 99.4 m-20 -78.27 -19.76 52.99 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.096 175.131 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 68.5 m-20 -92.63 -13.76 29.1 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.191 178.007 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 57.2 t0 -57.97 126.81 29.06 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.158 171.983 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 160.26 -164.47 34.43 Favored Glycine 0 CA--C 1.524 0.64 0 N-CA-C 111.189 -0.764 . . . . 0.0 111.189 -178.679 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 74.1 m-80 -105.81 109.38 21.32 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.91 0.386 . . . . 0.0 111.163 -173.897 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 80' ' ' TYR . . . . . . . . . . . . . 52.8 m-85 -83.77 70.06 10.3 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.208 177.351 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 85.6 m -65.83 135.08 54.38 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.169 -172.549 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 4.1 tt -109.88 139.97 30.79 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.061 177.729 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 83' ' ' MET . . . . . . . . . . . . . 63.5 ttp -119.76 121.16 38.55 Favored 'General case' 0 C--O 1.234 0.256 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.252 -175.738 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -88.82 65.5 7.67 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.319 -0.4 . . . . 0.0 111.085 177.571 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -76.51 124.59 27.82 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.255 -175.469 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 86' ' ' ASN . . . . . 0.618 ' HB3' ' HA ' ' A' ' 37' ' ' PRO . 30.7 p30 -150.73 177.79 1.74 Allowed Pre-proline 0 C--N 1.329 -0.313 0 CA-C-N 116.088 -0.505 . . . . 0.0 111.118 173.076 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 87' ' ' PRO . . . . . 0.615 ' CD ' ' HB2' ' A' ' 86' ' ' ASN . 75.6 Cg_exo -58.29 -24.96 70.39 Favored 'Trans proline' 0 N--CA 1.458 -0.604 0 C-N-CA 121.76 1.64 . . . . 0.0 111.201 -174.909 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 98.7 mm-40 -93.52 -4.95 50.14 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.068 -0.515 . . . . 0.0 111.259 -170.824 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 142.01 -157.73 26.52 Favored Glycine 0 CA--C 1.524 0.625 0 N-CA-C 111.287 -0.725 . . . . 0.0 111.287 179.711 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 40.3 ptt180 -150.81 149.95 30.36 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.75 0.309 . . . . 0.0 111.115 177.673 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 60.2 t -128.81 134.45 64.36 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.341 -0.39 . . . . 0.0 111.146 175.739 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 29.4 t -106.67 131.27 54.0 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.235 -0.438 . . . . 0.0 111.386 -177.854 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 93' ' ' CYS . . . . . . . . . . . . . 52.6 t -132.93 130.73 39.98 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.304 -0.407 . . . . 0.0 111.301 174.773 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 85.3 m -77.46 129.33 35.6 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.324 -171.761 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -100.52 55.39 0.83 Allowed Glycine 0 CA--C 1.524 0.633 0 N-CA-C 111.182 -0.767 . . . . 0.0 111.182 177.044 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 79.9 ttt180 -53.24 116.55 2.47 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.657 0.265 . . . . 0.0 111.327 -176.781 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 58.3 tp -125.18 112.3 16.28 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.305 -0.407 . . . . 0.0 111.155 171.42 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 98' ' ' MET . . . . . . . . . . . . . 98.7 mmm -97.86 140.72 31.8 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.152 179.621 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 84.0 t -116.93 124.01 72.46 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.082 -176.673 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 52.2 tp60 . . . . . 0 C--N 1.331 -0.221 0 CA-C-N 116.062 -0.517 . . . . 0.0 111.096 175.805 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.455 -0.189 0 CA-C-O 120.642 0.258 . . . . 0.0 111.207 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 34.7 Cg_endo -63.59 144.83 90.8 Favored 'Trans proline' 0 C--N 1.328 -0.551 0 C-N-CA 121.664 1.576 . . . . 0.0 111.166 179.335 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 86.6 t80 -161.42 139.99 9.67 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-O 121.086 0.47 . . . . 0.0 111.121 -176.477 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 83.3 m-85 -91.49 99.83 12.7 Favored 'General case' 0 C--N 1.332 -0.175 0 CA-C-N 116.041 -0.527 . . . . 0.0 111.111 175.971 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 21.7 pt-20 -77.42 -13.83 59.84 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.269 175.979 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 12' ' ' MET . . . . . 0.414 ' HB3' ' HB3' ' A' ' 30' ' ' ARG . 66.1 ttp -141.23 108.45 5.5 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.309 167.285 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 99.6 mttt -93.9 173.85 7.46 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.277 -172.662 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 92.3 mt -89.7 155.5 19.17 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.222 177.584 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 97.7 mttt -115.0 179.14 4.03 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.234 176.314 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 22.8 t-160 -73.93 111.82 9.46 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.183 173.401 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 94.5 m-85 -97.41 144.14 27.45 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.38 -0.373 . . . . 0.0 111.23 -175.713 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 98.4 mttt -125.63 115.42 20.11 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.285 178.691 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 3.8 mp -125.14 138.82 53.05 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.073 -0.512 . . . . 0.0 111.182 -170.639 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 8.8 m-30 -69.65 138.7 53.24 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.081 172.917 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 41.6 tt0 -55.12 119.01 4.84 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.074 -0.512 . . . . 0.0 111.116 179.067 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 95.08 -5.37 68.43 Favored Glycine 0 CA--C 1.523 0.579 0 N-CA-C 111.239 -0.744 . . . . 0.0 111.239 175.662 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 56.9 ttp -89.78 138.38 27.99 Favored Pre-proline 0 C--N 1.328 -0.343 0 CA-C-O 120.678 0.275 . . . . 0.0 111.335 -176.695 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 57.8 Cg_endo -66.48 150.42 84.18 Favored 'Trans proline' 0 C--N 1.327 -0.593 0 C-N-CA 121.588 1.525 . . . . 0.0 111.287 174.466 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 8.4 p -149.6 134.79 10.6 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.089 179.106 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 89.0 m -114.58 130.12 56.74 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.153 177.504 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 25.0 p90 -146.71 154.01 40.93 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.093 -0.503 . . . . 0.0 111.172 177.831 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 11.4 t -149.4 158.9 44.58 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.256 -166.538 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 36.6 t -147.39 148.9 31.79 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.326 -0.397 . . . . 0.0 111.265 -179.468 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 30' ' ' ARG . . . . . 0.414 ' HB3' ' HB3' ' A' ' 12' ' ' MET . 76.3 ttt180 -127.81 137.55 52.42 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 120.886 0.375 . . . . 0.0 111.143 -170.978 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 28.1 m -120.37 162.34 19.05 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.241 -176.136 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -145.01 80.96 1.63 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.339 177.729 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -120.97 -175.91 15.31 Favored Glycine 0 CA--C 1.521 0.457 0 N-CA-C 111.262 -0.735 . . . . 0.0 111.262 176.25 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 34' ' ' ASN . . . . . 0.496 ' HA ' ' HA ' ' A' ' 35' ' ' PRO . 54.1 t-20 -156.48 106.19 2.01 Favored Pre-proline 0 CA--C 1.511 -0.556 0 CA-C-O 121.142 0.496 . . . . 0.0 110.987 177.56 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 35' ' ' PRO . . . . . 0.496 ' HA ' ' HA ' ' A' ' 34' ' ' ASN . 27.7 Cg_exo -68.77 157.52 89.03 Favored 'Cis proline' 0 N--CA 1.458 -0.589 0 C-N-CA 121.5 -2.292 . . . . 0.0 111.255 4.158 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 36' ' ' LYS . . . . . 0.413 ' HA ' ' HD3' ' A' ' 37' ' ' PRO . 98.3 mttt -63.97 135.01 96.12 Favored Pre-proline 0 C--N 1.331 -0.215 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.047 -177.168 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 37' ' ' PRO . . . . . 0.564 ' HA ' ' HB3' ' A' ' 86' ' ' ASN . 74.1 Cg_exo -56.43 143.64 86.37 Favored 'Trans proline' 0 N--CA 1.458 -0.581 0 C-N-CA 121.704 1.603 . . . . 0.0 111.226 -176.145 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 99.2 mttt -86.91 75.02 9.63 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.378 171.73 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 75.8 mt -40.97 124.99 0.46 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.084 -172.179 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 83.4 m-85 -114.08 144.85 42.45 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.238 170.956 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 41' ' ' TRP . . . . . . . . . . . . . 92.1 m95 -114.36 136.87 52.51 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.093 176.631 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 37.0 p90 -154.11 147.09 24.5 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.199 171.493 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 12.7 tmtt? -109.98 110.03 20.82 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.101 -175.812 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 87.4 m-20 52.65 32.93 12.69 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.19 -176.327 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 98.18 -0.91 58.89 Favored Glycine 0 CA--C 1.523 0.586 0 N-CA-C 111.185 -0.766 . . . . 0.0 111.185 176.603 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 97.0 mttt -95.05 99.98 11.89 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.804 0.335 . . . . 0.0 111.062 -178.447 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 66.0 tt0 -54.57 131.33 42.73 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.338 -0.392 . . . . 0.0 111.202 -176.603 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 92.8 mt -110.8 118.19 56.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.352 -0.386 . . . . 0.0 111.177 177.757 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 88.7 p -89.84 154.23 47.71 Favored Pre-proline 0 C--N 1.328 -0.355 0 CA-C-N 116.336 -0.393 . . . . 0.0 111.273 178.063 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 46.4 Cg_exo -59.43 143.04 99.82 Favored 'Trans proline' 0 N--CA 1.459 -0.547 0 C-N-CA 121.622 1.548 . . . . 0.0 111.231 178.676 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 97.9 mttt 55.01 46.57 23.99 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.324 174.975 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 51.9 p -80.02 -170.16 2.34 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.309 -0.405 . . . . 0.0 111.224 177.317 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 98.7 m-20 -66.67 -33.27 75.28 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.13 -176.756 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 54' ' ' HIS . . . . . . . . . . . . . 98.7 m-70 -129.98 -6.85 4.44 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.008 -0.542 . . . . 0.0 111.33 -171.396 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 55' ' ' TYR . . . . . . . . . . . . . 82.3 m-85 -131.75 149.96 52.31 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.099 -176.61 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 84.8 m -134.88 130.73 36.4 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.112 175.272 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 92.2 mt -113.63 125.76 70.97 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.4 0 CA-C-N 116.285 -0.416 . . . . 0.0 111.01 -178.208 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 98.1 mm-40 -110.04 142.06 42.0 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.21 172.728 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 94.8 mtt-85 -121.21 102.42 8.29 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.179 -173.419 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 60' ' ' ASP . . . . . 0.401 ' HB3' ' HB ' ' A' ' 64' ' ' THR . 68.1 t0 -78.76 122.63 26.27 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.191 171.738 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 95.2 mt -67.06 -12.21 59.29 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.189 -171.592 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 95.5 m-20 -65.03 -21.56 66.86 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.291 -0.413 . . . . 0.0 111.061 176.864 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 122.46 20.77 2.87 Favored Glycine 0 CA--C 1.524 0.648 0 N-CA-C 111.066 -0.814 . . . . 0.0 111.066 -179.557 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 64' ' ' THR . . . . . 0.401 ' HB ' ' HB3' ' A' ' 60' ' ' ASP . 59.4 m -120.1 140.03 51.68 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 120.709 0.29 . . . . 0.0 111.247 -179.588 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 65' ' ' CYS . . . . . . . . . . . . . 28.8 t -134.57 134.97 41.92 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.067 177.548 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 41.0 t -118.79 129.63 55.35 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.279 -0.419 . . . . 0.0 111.106 -174.291 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 60.0 tp -107.72 121.6 45.04 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.085 -0.507 . . . . 0.0 111.136 176.609 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 74.6 t60 -110.0 129.99 55.6 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.245 179.654 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 87.0 m -102.7 126.66 49.89 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.171 173.488 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 88.9 m -69.9 -45.0 68.54 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.235 -176.148 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -144.95 90.19 2.03 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.289 -0.414 . . . . 0.0 111.178 -177.833 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 34.8 t -80.03 92.67 5.63 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.14 -176.649 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 67.5 p -90.73 177.54 6.3 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.103 178.472 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 86.6 mt -60.32 -30.24 69.37 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.103 -0.499 . . . . 0.0 111.324 179.278 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 99.0 m-20 -72.31 -17.5 61.85 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.083 -0.508 . . . . 0.0 111.217 176.672 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 68.9 m-20 -96.85 -0.18 48.25 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.288 -0.415 . . . . 0.0 111.197 178.148 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 59.1 t0 -69.01 131.46 45.09 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.356 176.397 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 160.77 -163.13 33.99 Favored Glycine 0 CA--C 1.523 0.561 0 N-CA-C 111.244 -0.742 . . . . 0.0 111.244 -179.565 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 75.3 m-20 -104.03 106.49 17.01 Favored 'General case' 0 C--O 1.234 0.285 0 CA-C-O 120.873 0.368 . . . . 0.0 111.148 -174.549 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 80' ' ' TYR . . . . . . . . . . . . . 44.9 m-85 -81.31 69.96 8.05 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.299 177.23 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 91.1 m -64.98 134.91 54.94 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.251 -171.002 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 82' ' ' ILE . . . . . 0.434 HG23 ' HB3' ' A' ' 93' ' ' CYS . 3.2 tt -109.93 140.02 30.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.118 176.808 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 83' ' ' MET . . . . . . . . . . . . . 64.7 ttp -120.0 119.96 34.92 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.222 -175.048 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -86.46 77.17 9.49 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-O 120.987 0.422 . . . . 0.0 111.182 173.867 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -88.6 121.93 31.5 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.238 -176.276 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 86' ' ' ASN . . . . . 0.599 ' HB2' ' CD ' ' A' ' 87' ' ' PRO . 30.3 p30 -146.89 177.42 1.77 Allowed Pre-proline 0 C--N 1.328 -0.335 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.13 173.116 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 87' ' ' PRO . . . . . 0.599 ' CD ' ' HB2' ' A' ' 86' ' ' ASN . 77.8 Cg_exo -58.21 -24.9 69.47 Favored 'Trans proline' 0 N--CA 1.455 -0.758 0 C-N-CA 121.709 1.606 . . . . 0.0 111.297 -175.586 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 98.0 mm-40 -90.8 -5.08 56.1 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.057 -171.71 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 139.91 -170.97 24.06 Favored Glycine 0 CA--C 1.522 0.517 0 N-CA-C 111.353 -0.699 . . . . 0.0 111.353 175.81 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 98.7 mtt180 -129.99 144.99 51.63 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 120.573 0.225 . . . . 0.0 111.221 -178.867 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 56.3 t -134.26 128.3 52.01 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.224 176.569 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 30.8 t -101.17 139.26 37.1 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.37 -178.678 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 93' ' ' CYS . . . . . 0.434 ' HB3' HG23 ' A' ' 82' ' ' ILE . 52.4 t -135.93 129.12 31.73 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.314 172.991 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 85.1 m -72.02 128.81 36.88 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.153 -172.599 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -102.17 58.69 0.6 Allowed Glycine 0 CA--C 1.525 0.663 0 N-CA-C 111.124 -0.79 . . . . 0.0 111.124 176.262 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 80.1 ttt180 -54.26 110.12 0.57 Allowed 'General case' 0 C--N 1.327 -0.413 0 CA-C-O 120.714 0.292 . . . . 0.0 111.191 -176.538 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 3.1 mp -114.29 106.51 14.42 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.318 170.818 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 98' ' ' MET . . . . . . . . . . . . . 63.9 ttp -96.82 130.88 44.02 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.077 -0.51 . . . . 0.0 111.054 179.131 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 77.6 t -113.21 138.28 43.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.313 -176.107 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 65.7 tt0 . . . . . 0 N--CA 1.454 -0.236 0 CA-C-O 121.033 0.444 . . . . 0.0 111.326 -179.061 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.456 -0.133 0 CA-C-O 120.752 0.31 . . . . 0.0 111.265 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 51.6 Cg_endo -67.21 120.81 7.89 Favored 'Trans proline' 0 N--CA 1.458 -0.602 0 C-N-CA 121.617 1.544 . . . . 0.0 111.206 178.302 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 91.7 t80 -162.13 137.68 7.39 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.102 179.61 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 65.6 m-85 -80.65 114.13 19.33 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.156 -179.862 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 22.9 pt-20 -78.87 -14.72 59.08 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.034 171.255 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 67.5 ttp -137.09 115.99 12.3 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.083 167.879 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 97.1 mttt -102.34 164.9 11.42 Favored 'General case' 0 C--N 1.332 -0.155 0 CA-C-N 116.03 -0.532 . . . . 0.0 111.147 -171.417 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 96.1 mt -80.95 150.14 29.08 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.248 -179.95 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 97.5 mttt -115.06 -179.06 3.52 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.241 179.228 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 22.1 t-160 -75.09 113.18 12.12 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.275 173.905 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 63.1 m-85 -105.83 148.3 27.7 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.411 -0.359 . . . . 0.0 111.33 -175.947 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 99.2 mttt -134.34 139.74 45.87 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.197 177.696 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 10.9 tp -149.85 149.92 14.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.189 -178.813 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 56.0 m-85 -77.93 146.33 35.6 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.277 -0.419 . . . . 0.0 111.292 178.194 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 39.8 tt0 -55.08 120.63 7.25 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.11 -0.496 . . . . 0.0 111.062 -177.0 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 98.79 -14.51 61.67 Favored Glycine 0 CA--C 1.523 0.578 0 N-CA-C 111.113 -0.795 . . . . 0.0 111.113 173.09 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 98.0 mmm -85.22 153.25 59.34 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 120.852 0.358 . . . . 0.0 111.266 -176.825 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 86.4 Cg_endo -75.52 152.74 38.76 Favored 'Trans proline' 0 N--CA 1.459 -0.546 0 C-N-CA 121.764 1.643 . . . . 0.0 111.179 177.883 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 9.1 p -152.42 134.96 6.45 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.134 176.395 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 88.2 m -120.27 135.41 55.01 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.212 -178.949 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 23.7 p90 -151.5 152.27 32.76 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 116.337 -0.392 . . . . 0.0 111.198 174.921 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 9.5 t -146.95 157.49 43.65 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.087 -0.506 . . . . 0.0 111.228 -164.688 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 1.8 t -143.28 153.11 42.44 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.242 -179.203 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 54.2 ttt85 -133.28 130.63 39.2 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.318 -0.401 . . . . 0.0 111.138 -169.526 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 85.2 t -108.46 134.88 49.01 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.101 -0.5 . . . . 0.0 111.234 -176.144 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -93.79 64.98 3.54 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.215 173.916 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -107.6 163.02 13.1 Favored Glycine 0 CA--C 1.521 0.452 0 N-CA-C 111.369 -0.692 . . . . 0.0 111.369 -178.781 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 34' ' ' ASN . . . . . 0.45 ' HA ' ' HA ' ' A' ' 35' ' ' PRO . 60.1 t-20 -168.25 101.71 0.55 Allowed Pre-proline 0 CA--C 1.51 -0.566 0 CA-C-O 121.093 0.473 . . . . 0.0 110.979 177.17 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 35' ' ' PRO . . . . . 0.45 ' HA ' ' HA ' ' A' ' 34' ' ' ASN . 58.6 Cg_endo -71.94 169.84 68.91 Favored 'Cis proline' 0 N--CA 1.457 -0.649 0 C-N-CA 121.36 -2.35 . . . . 0.0 111.403 1.404 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 36' ' ' LYS . . . . . 0.459 ' HA ' ' HD3' ' A' ' 37' ' ' PRO . 72.3 mmtt -67.93 135.1 91.93 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.156 -179.848 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 37' ' ' PRO . . . . . 0.459 ' HD3' ' HA ' ' A' ' 36' ' ' LYS . 31.9 Cg_exo -64.47 177.9 1.92 Allowed 'Trans proline' 0 N--CA 1.459 -0.516 0 C-N-CA 121.544 1.496 . . . . 0.0 111.238 177.947 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 98.8 mttt -84.72 80.01 9.41 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.459 174.724 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 60.1 mt -77.77 132.92 31.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.038 -171.924 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 37.9 p90 -149.43 164.88 33.75 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.306 178.946 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 41' ' ' TRP . . . . . . . . . . . . . 74.8 m95 -109.11 151.59 26.21 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 121.083 0.468 . . . . 0.0 111.123 178.973 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 38.9 p90 -152.88 145.75 24.44 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.059 -0.519 . . . . 0.0 111.235 166.323 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 13.3 tmtt? -110.04 109.93 20.67 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.049 -0.523 . . . . 0.0 111.265 -175.642 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 89.8 m-20 53.0 33.37 14.62 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.11 -176.294 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 98.98 -3.32 58.51 Favored Glycine 0 CA--C 1.524 0.64 0 N-CA-C 111.152 -0.779 . . . . 0.0 111.152 176.296 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 97.0 mttt -95.35 99.9 11.76 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-O 120.697 0.284 . . . . 0.0 111.131 -177.591 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 66.0 tt0 -51.94 130.04 28.45 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.381 -0.372 . . . . 0.0 111.214 -177.683 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 97.9 mt -98.36 124.95 51.76 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.148 -176.911 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 49' ' ' SER . . . . . 0.426 ' HA ' ' HD3' ' A' ' 50' ' ' PRO . 30.5 t -85.49 132.1 45.8 Favored Pre-proline 0 C--N 1.328 -0.342 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.239 174.127 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 50' ' ' PRO . . . . . 0.426 ' HD3' ' HA ' ' A' ' 49' ' ' SER . 57.0 Cg_exo -54.5 137.41 72.69 Favored 'Trans proline' 0 N--CA 1.458 -0.592 0 C-N-CA 121.731 1.62 . . . . 0.0 111.164 178.366 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 97.6 mttt 59.69 58.09 2.98 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.302 178.108 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 13.1 t -94.96 -160.86 0.81 Allowed 'General case' 0 C--O 1.234 0.265 0 CA-C-N 116.06 -0.518 . . . . 0.0 111.166 178.63 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 99.6 m-20 -55.08 -45.33 75.39 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.346 -0.388 . . . . 0.0 111.175 -178.055 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 54' ' ' HIS . . . . . . . . . . . . . 99.5 m-70 -136.32 -6.5 2.03 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.09 -0.505 . . . . 0.0 111.351 178.645 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 55' ' ' TYR . . . . . . . . . . . . . 21.9 m-30 -103.03 92.62 4.62 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.269 -173.397 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 97.3 m -97.71 120.3 37.85 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.123 -0.489 . . . . 0.0 111.155 -179.297 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 96.8 mt -105.79 123.44 60.28 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.137 -179.067 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 64.8 tt0 -104.97 119.1 38.18 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.146 173.857 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 62.7 ttm-85 -102.81 90.26 3.74 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.185 -175.167 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 67.0 t0 -71.29 119.93 16.13 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 120.928 0.395 . . . . 0.0 111.181 172.904 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 95.6 mt -68.82 -10.83 59.01 Favored 'General case' 0 C--O 1.236 0.347 0 CA-C-N 116.051 -0.522 . . . . 0.0 111.233 -171.456 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 17.9 t70 -67.73 -19.84 65.18 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.382 -0.372 . . . . 0.0 111.188 176.039 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 123.67 17.21 3.2 Favored Glycine 0 CA--C 1.524 0.613 0 N-CA-C 111.023 -0.831 . . . . 0.0 111.023 176.398 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 95.6 m -114.93 126.12 54.42 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-O 120.802 0.335 . . . . 0.0 111.253 -179.087 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 65' ' ' CYS . . . . . . . . . . . . . 76.7 m -115.77 124.92 51.98 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.125 176.228 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 34.7 t -115.38 132.66 56.55 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.079 -0.51 . . . . 0.0 111.169 -177.047 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 68.4 tp -112.43 119.87 39.71 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.081 -0.508 . . . . 0.0 111.139 177.056 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 63.5 t60 -108.25 125.11 51.29 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.364 -0.38 . . . . 0.0 111.294 176.788 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 92.2 m -101.08 115.59 30.84 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.054 172.513 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 83.6 m -64.99 -43.45 92.54 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.257 -175.201 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -142.12 87.61 2.04 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.051 -0.522 . . . . 0.0 111.045 -176.874 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 46.6 t -80.08 105.78 11.61 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.186 -177.686 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 47.7 p -105.9 -179.86 4.06 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.221 -179.903 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 96.4 mt -60.81 -28.24 68.64 Favored 'General case' 0 C--N 1.333 -0.143 0 CA-C-N 116.101 -0.5 . . . . 0.0 111.273 -178.559 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 98.7 m-20 -76.76 -17.9 58.78 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.052 176.063 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 67.4 m-20 -94.82 -16.16 23.17 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.27 178.192 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 57.7 t0 -54.88 128.8 34.85 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.305 -0.407 . . . . 0.0 111.204 174.412 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 160.77 -163.26 34.05 Favored Glycine 0 CA--C 1.523 0.55 0 N-CA-C 111.212 -0.755 . . . . 0.0 111.212 -179.462 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 74.6 m-80 -105.56 108.05 19.35 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.921 0.391 . . . . 0.0 111.209 -174.481 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 80' ' ' TYR . . . . . . . . . . . . . 54.7 m-85 -84.94 69.99 10.85 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.35 177.809 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 87.0 m -68.89 134.61 49.85 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.019 -172.842 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 12.7 tt -109.98 136.92 44.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.196 176.373 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 83' ' ' MET . . . . . . . . . . . . . 59.2 ttm -127.71 128.34 45.25 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.289 -0.414 . . . . 0.0 111.327 -178.143 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -98.69 65.05 1.53 Allowed 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.319 -0.4 . . . . 0.0 111.12 173.858 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -75.22 143.14 43.28 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.269 -174.431 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 86' ' ' ASN . . . . . 0.587 ' HB2' ' CD ' ' A' ' 87' ' ' PRO . 37.5 p30 -155.5 174.72 3.66 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-N 116.293 -0.412 . . . . 0.0 111.101 171.45 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 87' ' ' PRO . . . . . 0.587 ' CD ' ' HB2' ' A' ' 86' ' ' ASN . 68.8 Cg_exo -59.79 -24.63 76.54 Favored 'Trans proline' 0 N--CA 1.456 -0.685 0 C-N-CA 121.7 1.6 . . . . 0.0 111.328 -174.682 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 88.3 mm-40 -97.07 -1.72 44.74 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.285 -171.087 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 144.47 -175.45 24.21 Favored Glycine 0 CA--C 1.524 0.624 0 N-CA-C 111.252 -0.739 . . . . 0.0 111.252 -178.201 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 41.0 ptt180 -148.51 159.97 43.54 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.593 0.235 . . . . 0.0 111.201 -177.014 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 9.3 p -147.35 139.93 19.02 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.525 0 CA-C-N 116.288 -0.415 . . . . 0.0 111.295 173.78 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 36.8 t -130.08 137.46 50.21 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.334 -0.394 . . . . 0.0 111.323 -169.205 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 93' ' ' CYS . . . . . . . . . . . . . 96.5 m -130.05 139.2 51.02 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.277 -0.42 . . . . 0.0 111.341 171.827 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 94.6 m -87.45 118.51 26.95 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.229 -171.566 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -88.85 59.88 3.92 Favored Glycine 0 CA--C 1.523 0.571 0 N-CA-C 111.249 -0.74 . . . . 0.0 111.249 179.99 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 79.2 ttt180 -53.43 113.94 1.33 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.71 0.29 . . . . 0.0 111.304 -179.887 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 65.5 tp -123.4 109.22 13.6 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.242 174.615 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 98' ' ' MET . . . . . . . . . . . . . 99.2 mmm -95.67 140.82 29.94 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.158 178.137 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 85.9 t -115.63 128.99 72.68 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.221 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.166 -176.348 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 99.4 mm-40 . . . . . 0 C--N 1.331 -0.222 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.218 178.177 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.457 -0.107 0 CA-C-O 120.814 0.34 . . . . 0.0 111.147 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 54.6 Cg_endo -71.43 148.07 53.69 Favored 'Trans proline' 0 N--CA 1.457 -0.623 0 C-N-CA 121.784 1.656 . . . . 0.0 111.119 -177.172 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 55.1 p90 -153.32 155.01 35.69 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.305 -0.407 . . . . 0.0 111.262 174.085 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 90.3 m-85 -83.56 94.18 8.01 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.282 -0.417 . . . . 0.0 111.046 -172.458 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 87.8 tt0 -57.02 -37.11 71.24 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.3 169.885 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 62.7 ttp -130.78 122.75 27.74 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.052 -0.522 . . . . 0.0 111.219 173.241 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 99.0 mttt -102.11 164.95 11.42 Favored 'General case' 0 C--O 1.233 0.208 0 CA-C-N 116.097 -0.501 . . . . 0.0 111.243 -173.363 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 95.9 mt -84.11 154.97 22.85 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.315 -0.402 . . . . 0.0 111.174 178.649 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 98.0 mttt -114.98 169.96 8.7 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.299 176.205 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 19.2 t-160 -67.02 111.08 3.64 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.154 174.139 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 60.9 m-85 -100.88 146.31 27.5 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.38 -0.373 . . . . 0.0 111.298 -175.081 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 99.0 mttt -135.74 139.66 43.76 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.275 176.727 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 9.7 tp -147.96 152.09 12.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.022 -178.336 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 67.2 m-85 -79.93 145.33 32.68 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.069 -0.514 . . . . 0.0 111.306 172.66 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 88.5 tt0 -53.43 124.6 15.28 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.001 -178.604 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 104.1 -17.05 49.14 Favored Glycine 0 CA--C 1.524 0.598 0 N-CA-C 111.076 -0.81 . . . . 0.0 111.076 171.78 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 98.1 mmm -84.97 153.7 60.35 Favored Pre-proline 0 C--N 1.328 -0.342 0 CA-C-O 120.874 0.369 . . . . 0.0 111.179 -175.359 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 71.7 Cg_endo -75.06 153.53 41.56 Favored 'Trans proline' 0 C--N 1.328 -0.517 0 C-N-CA 121.617 1.545 . . . . 0.0 111.241 178.408 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 46.5 t -135.03 127.05 47.63 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.198 179.518 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 85.8 m -122.26 125.32 45.78 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.028 -0.533 . . . . 0.0 111.107 179.767 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 37.8 p90 -153.72 160.16 42.22 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.05 174.2 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 9.3 t -149.62 155.58 40.49 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.177 -172.371 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 11.2 t -141.09 148.2 39.77 Favored 'General case' 0 C--O 1.235 0.318 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.197 -178.619 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 60.6 ttt85 -121.87 121.77 37.91 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.478 -0.328 . . . . 0.0 111.188 -172.875 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 97.2 t -110.66 119.34 59.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.316 176.624 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -92.8 64.94 4.12 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.226 -177.776 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -92.74 175.25 36.88 Favored Glycine 0 CA--C 1.521 0.418 0 N-CA-C 111.3 -0.72 . . . . 0.0 111.3 176.058 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 34' ' ' ASN . . . . . 0.48 ' HA ' ' HA ' ' A' ' 35' ' ' PRO . 54.2 t-20 -158.88 106.19 1.59 Allowed Pre-proline 0 CA--C 1.511 -0.546 0 CA-C-O 121.329 0.585 . . . . 0.0 110.924 176.706 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 35' ' ' PRO . . . . . 0.48 ' HA ' ' HA ' ' A' ' 34' ' ' ASN . 60.1 Cg_endo -73.01 157.77 98.82 Favored 'Cis proline' 0 N--CA 1.458 -0.574 0 C-N-CA 121.371 -2.345 . . . . 0.0 111.246 2.046 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 3.8 mptp? -60.08 112.77 5.91 Favored Pre-proline 0 C--N 1.331 -0.208 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.117 176.966 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 39.8 Cg_exo -59.8 154.6 48.62 Favored 'Trans proline' 0 N--CA 1.458 -0.604 0 C-N-CA 121.625 1.55 . . . . 0.0 111.198 178.966 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 88.6 tttt -70.33 79.17 0.54 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.261 175.014 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 87.4 mt -41.94 123.79 0.49 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.225 -176.412 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 85.5 m-85 -106.26 148.25 28.19 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.296 -0.411 . . . . 0.0 111.224 178.582 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 41' ' ' TRP . . . . . . . . . . . . . 90.4 m95 -119.98 141.87 49.29 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.184 173.03 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 40.2 p90 -152.58 146.12 24.95 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.075 -0.511 . . . . 0.0 111.406 172.084 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 12.3 tmtt? -110.04 110.06 20.84 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.271 -175.028 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 94.6 m-20 53.81 33.62 17.37 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.075 -176.17 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 95.83 -0.07 62.53 Favored Glycine 0 CA--C 1.525 0.676 0 N-CA-C 111.034 -0.827 . . . . 0.0 111.034 176.533 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 97.0 mttt -94.92 100.66 12.48 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.811 0.339 . . . . 0.0 111.155 -178.942 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 66.4 tt0 -51.11 129.47 24.18 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 116.393 -0.367 . . . . 0.0 111.202 -177.491 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 95.0 mt -99.97 124.99 53.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.305 -0.407 . . . . 0.0 111.266 -179.317 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 49' ' ' SER . . . . . 0.422 ' HA ' ' HD3' ' A' ' 50' ' ' PRO . 30.6 t -87.92 133.97 36.29 Favored Pre-proline 0 C--N 1.327 -0.407 0 CA-C-N 116.328 -0.396 . . . . 0.0 111.262 174.864 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 50' ' ' PRO . . . . . 0.422 ' HD3' ' HA ' ' A' ' 49' ' ' SER . 53.6 Cg_exo -54.83 137.77 75.73 Favored 'Trans proline' 0 N--CA 1.456 -0.678 0 C-N-CA 121.71 1.607 . . . . 0.0 111.264 178.109 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 98.0 mttt 58.21 56.98 4.2 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.252 178.232 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 14.8 t -94.95 -161.6 0.87 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.291 178.681 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 99.6 m-20 -55.0 -45.67 75.08 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.348 -177.899 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 54' ' ' HIS . . . . . . . . . . . . . 99.5 m-70 -136.41 -5.21 2.05 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.879 -0.6 . . . . 0.0 111.304 179.368 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 55' ' ' TYR . . . . . . . . . . . . . 22.2 m-30 -107.19 96.63 6.55 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.081 -172.286 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 97.7 m -99.02 124.49 44.04 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.162 -179.582 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 98.5 mt -110.54 124.39 67.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.277 -0.419 . . . . 0.0 111.259 179.586 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 97.0 mm-40 -115.04 105.12 12.59 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.289 -0.414 . . . . 0.0 111.147 174.247 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 39.3 ttm105 -102.0 100.03 10.26 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.287 -0.415 . . . . 0.0 111.153 -173.765 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 65.6 t0 -78.1 131.32 37.22 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.229 -0.442 . . . . 0.0 111.125 173.52 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 95.2 mt -67.53 -14.19 62.72 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.232 -174.347 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 19.0 t70 -63.93 -27.32 69.06 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.286 -0.415 . . . . 0.0 111.2 177.482 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 132.71 -10.8 5.2 Favored Glycine 0 CA--C 1.523 0.557 0 N-CA-C 111.164 -0.774 . . . . 0.0 111.164 175.982 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 96.9 m -94.58 128.37 41.15 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 120.829 0.347 . . . . 0.0 111.293 178.379 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 65' ' ' CYS . . . . . . . . . . . . . 46.9 t -131.41 129.14 40.88 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.152 176.488 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 29.0 t -105.36 143.18 33.88 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.215 -176.451 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 61.1 tp -120.74 117.78 28.35 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.256 173.642 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 83.0 t60 -110.45 127.66 55.23 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.353 -178.619 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 95.2 m -100.37 117.14 33.95 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.022 171.885 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 81.7 m -63.72 -44.03 94.78 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.21 -176.061 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -144.08 88.22 1.95 Allowed 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.288 -0.415 . . . . 0.0 111.057 -176.871 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 47.0 t -78.12 106.37 9.96 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.097 -177.493 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 46.5 p -102.72 176.59 5.11 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 120.973 0.416 . . . . 0.0 111.021 179.304 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 37.5 tp -56.12 -35.69 67.38 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 116.037 -0.529 . . . . 0.0 111.278 -178.625 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 99.2 m-20 -72.38 -17.25 61.84 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.053 -0.521 . . . . 0.0 111.233 179.764 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 68.8 m-20 -89.93 -5.79 56.39 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.285 178.121 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 54.9 t0 -62.94 127.02 29.32 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.249 176.42 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 162.22 -164.03 35.27 Favored Glycine 0 CA--C 1.523 0.58 0 N-CA-C 111.157 -0.777 . . . . 0.0 111.157 -179.529 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 73.3 m-80 -105.82 109.57 21.58 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.869 0.366 . . . . 0.0 111.143 -173.803 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 80' ' ' TYR . . . . . . . . . . . . . 48.9 m-85 -84.56 70.07 10.68 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.292 178.016 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 88.7 m -65.94 134.19 52.46 Favored 'General case' 0 C--O 1.234 0.275 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.207 -171.504 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 2.8 tt -103.49 142.11 17.93 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.295 -0.411 . . . . 0.0 111.115 173.564 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 83' ' ' MET . . . . . . . . . . . . . 65.9 ttp -142.67 124.64 15.23 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.256 -177.64 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -93.37 64.95 3.76 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.199 178.095 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -73.09 134.66 44.61 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.21 -175.532 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 86' ' ' ASN . . . . . 0.557 ' HB2' ' HD2' ' A' ' 87' ' ' PRO . 5.4 p30 -154.95 173.55 4.72 Favored Pre-proline 0 C--N 1.327 -0.407 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.228 176.001 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 87' ' ' PRO . . . . . 0.557 ' HD2' ' HB2' ' A' ' 86' ' ' ASN . 71.3 Cg_exo -57.79 -30.71 90.19 Favored 'Trans proline' 0 N--CA 1.457 -0.633 0 C-N-CA 121.85 1.7 . . . . 0.0 111.136 -174.396 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 95.3 mm-40 -95.27 2.22 54.76 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.128 -170.209 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 142.03 -174.71 23.07 Favored Glycine 0 CA--C 1.521 0.41 0 N-CA-C 111.405 -0.678 . . . . 0.0 111.405 177.103 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 41.4 ptt180 -149.23 156.04 41.52 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 120.565 0.222 . . . . 0.0 111.16 -178.414 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 9.5 p -151.8 139.55 13.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.215 174.121 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 94.7 p -129.3 158.69 38.38 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.315 -0.402 . . . . 0.0 111.364 -167.51 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 93' ' ' CYS . . . . . . . . . . . . . 52.1 t -149.99 135.06 17.91 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.186 176.588 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 88.8 m -70.71 130.06 40.76 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.211 -172.523 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -103.16 55.5 0.65 Allowed Glycine 0 CA--C 1.523 0.547 0 N-CA-C 111.279 -0.729 . . . . 0.0 111.279 177.087 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 80.0 ttt180 -52.8 115.56 1.88 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.797 0.332 . . . . 0.0 111.285 -176.414 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 57.5 tp -124.62 110.28 14.22 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.161 171.401 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 98' ' ' MET . . . . . . . . . . . . . 98.8 mmm -96.27 141.33 29.74 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.151 179.329 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 57.3 t -118.61 125.04 74.07 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.262 -176.756 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 55.1 tp60 . . . . . 0 C--N 1.329 -0.302 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.227 173.798 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.116 0 CA-C-O 120.867 0.365 . . . . 0.0 111.166 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 35.9 Cg_endo -64.48 145.63 88.02 Favored 'Trans proline' 0 N--CA 1.457 -0.624 0 C-N-CA 121.785 1.656 . . . . 0.0 111.15 179.873 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 86.8 t80 -161.42 139.95 9.65 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 121.004 0.43 . . . . 0.0 111.067 -176.895 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 90.3 m-85 -90.53 99.75 12.72 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.078 -0.51 . . . . 0.0 111.088 176.953 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 21.6 pt-20 -78.43 -14.94 59.15 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.049 -0.523 . . . . 0.0 111.199 175.989 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 63.0 ttp -140.32 107.37 5.45 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.15 168.141 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 99.4 mttt -93.0 167.97 11.45 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.033 -0.531 . . . . 0.0 111.247 -172.356 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 85.7 mt -81.86 157.59 24.34 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.344 177.184 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 97.3 mttt -114.97 179.76 3.86 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.295 -0.411 . . . . 0.0 111.313 177.144 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 22.9 t-160 -82.55 110.14 17.38 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.264 -0.425 . . . . 0.0 111.133 172.997 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 17' ' ' TYR . . . . . 0.415 ' HB2' ' HG ' ' A' ' 97' ' ' LEU . 92.1 m-85 -98.18 143.58 28.54 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.388 -0.369 . . . . 0.0 111.297 -173.221 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 88.3 tttt -115.48 120.09 38.36 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.298 175.271 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 4.1 mp -126.25 139.29 52.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.101 -173.575 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 12.6 m-30 -73.74 140.97 46.32 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.28 173.641 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 88.0 tt0 -56.62 117.48 3.93 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.246 179.514 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 96.45 -8.12 66.43 Favored Glycine 0 CA--C 1.524 0.618 0 N-CA-C 111.321 -0.711 . . . . 0.0 111.321 177.375 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 28.6 ttt -88.81 132.19 39.18 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 120.764 0.316 . . . . 0.0 111.375 -178.21 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 50.0 Cg_endo -66.15 151.02 84.68 Favored 'Trans proline' 0 C--N 1.326 -0.617 0 C-N-CA 121.73 1.62 . . . . 0.0 111.071 177.215 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 8.1 p -145.87 135.02 17.25 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.215 0 CA-C-N 116.092 -0.503 . . . . 0.0 111.085 -179.511 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 92.0 m -114.82 129.86 56.77 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.171 176.838 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 28.2 p90 -145.36 153.45 41.24 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.193 177.861 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 12.4 t -149.6 159.41 44.35 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.274 -167.711 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 48.2 t -147.59 147.11 29.71 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.132 -179.046 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 58.0 ttt85 -123.41 135.32 54.06 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.122 -172.446 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 31.7 m -116.41 163.98 13.14 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.219 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.117 -179.476 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -144.05 76.82 1.52 Allowed 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.307 177.762 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -117.74 -176.7 17.26 Favored Glycine 0 CA--C 1.521 0.437 0 N-CA-C 111.234 -0.747 . . . . 0.0 111.234 176.986 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 34' ' ' ASN . . . . . 0.469 ' HA ' ' HA ' ' A' ' 35' ' ' PRO . 54.2 t-20 -155.46 106.06 2.2 Favored Pre-proline 0 CA--C 1.51 -0.572 0 CA-C-O 121.256 0.55 . . . . 0.0 110.979 178.786 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 35' ' ' PRO . . . . . 0.469 ' HA ' ' HA ' ' A' ' 34' ' ' ASN . 30.0 Cg_exo -71.71 157.68 96.6 Favored 'Cis proline' 0 N--CA 1.456 -0.73 0 C-N-CA 121.564 -2.265 . . . . 0.0 111.318 7.541 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 36' ' ' LYS . . . . . 0.424 ' HA ' ' HD3' ' A' ' 37' ' ' PRO . 99.0 mttt -58.56 127.8 82.37 Favored Pre-proline 0 C--N 1.332 -0.19 0 CA-C-N 116.11 -0.496 . . . . 0.0 111.145 -178.536 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 37' ' ' PRO . . . . . 0.551 ' HA ' ' HB3' ' A' ' 86' ' ' ASN . 74.0 Cg_exo -56.68 144.98 84.44 Favored 'Trans proline' 0 N--CA 1.458 -0.574 0 C-N-CA 121.636 1.557 . . . . 0.0 111.242 -177.184 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 98.8 mttt -89.04 75.53 7.94 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.37 174.559 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 79.0 mt -42.25 121.09 0.37 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 116.049 -0.523 . . . . 0.0 111.147 -170.693 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 75.5 m-85 -110.87 150.52 29.06 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.248 173.125 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 41' ' ' TRP . . . . . . . . . . . . . 91.1 m95 -117.7 140.33 49.82 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.288 -0.415 . . . . 0.0 111.164 178.448 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 44.1 p90 -153.37 146.53 24.67 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.318 168.557 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 13.5 tmtt? -110.0 109.85 20.58 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.081 -0.509 . . . . 0.0 111.198 -172.979 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 89.3 m-20 53.27 34.39 17.62 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.292 -0.413 . . . . 0.0 111.08 -176.789 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 96.52 -0.37 61.39 Favored Glycine 0 CA--C 1.525 0.671 0 N-CA-C 111.086 -0.805 . . . . 0.0 111.086 176.321 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 96.7 mttt -95.3 100.06 11.9 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.87 0.366 . . . . 0.0 111.099 -178.492 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 66.4 tt0 -51.46 128.77 23.68 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.13 -178.146 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 96.9 mt -100.35 124.59 53.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.133 -178.974 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 49' ' ' SER . . . . . 0.425 ' HA ' ' HD3' ' A' ' 50' ' ' PRO . 30.2 t -88.0 134.69 34.62 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-N 116.309 -0.405 . . . . 0.0 111.292 174.893 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 50' ' ' PRO . . . . . 0.425 ' HD3' ' HA ' ' A' ' 49' ' ' SER . 53.8 Cg_exo -54.59 138.14 74.58 Favored 'Trans proline' 0 N--CA 1.457 -0.648 0 C-N-CA 121.643 1.562 . . . . 0.0 111.336 178.446 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 98.0 mttt 58.46 56.91 4.09 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.295 177.857 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 14.5 t -94.93 -162.08 0.92 Allowed 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.275 178.847 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 99.5 m-20 -55.48 -45.96 76.93 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.342 -177.879 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 54' ' ' HIS . . . . . . . . . . . . . 99.7 m-70 -136.21 -4.93 2.11 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.038 -0.528 . . . . 0.0 111.334 179.86 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 55' ' ' TYR . . . . . . . . . . . . . 22.0 m-30 -108.57 96.88 6.64 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 121.168 0.509 . . . . 0.0 111.124 -173.445 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 97.1 m -100.07 120.58 40.07 Favored 'General case' 0 C--O 1.233 0.195 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.231 -179.181 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 98.1 mt -105.75 124.98 61.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.232 179.352 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 71.7 tp60 -116.94 107.83 15.05 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.185 172.884 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 42.3 ttm105 -101.28 100.05 10.51 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.162 -175.984 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 66.9 t0 -77.53 128.51 34.3 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.149 173.901 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 95.0 mt -66.97 -13.66 62.08 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.23 -174.615 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 24.3 t70 -60.79 -29.53 69.51 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.185 176.874 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 132.98 -0.45 4.45 Favored Glycine 0 CA--C 1.525 0.695 0 N-CA-C 110.967 -0.853 . . . . 0.0 110.967 176.456 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 97.6 m -107.34 134.81 49.85 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-O 120.83 0.348 . . . . 0.0 111.241 178.092 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 65' ' ' CYS . . . . . . . . . . . . . 35.5 t -133.77 135.05 43.65 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.989 175.387 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 29.3 t -115.79 139.06 50.54 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.181 -175.296 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 53.9 tp -115.9 115.7 26.68 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.063 173.754 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 75.4 t60 -100.89 130.03 46.83 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.245 178.34 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 100.0 m -103.48 115.91 31.41 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.106 171.659 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 84.1 m -69.29 -39.93 78.04 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.241 -175.236 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -137.05 81.21 1.86 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.102 -177.425 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 47.3 t -76.4 107.56 8.75 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.123 -0.489 . . . . 0.0 111.21 179.874 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 54.6 p -116.26 -176.84 3.04 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.213 -179.946 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 95.9 mt -64.2 -24.77 67.79 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.448 -177.967 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 98.7 m-20 -78.18 -17.82 56.3 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.067 174.741 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 63.6 m-20 -95.17 -16.12 22.8 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.292 178.362 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 54.9 t0 -54.85 128.59 33.8 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.039 -0.528 . . . . 0.0 111.303 173.009 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 157.43 -163.4 32.49 Favored Glycine 0 CA--C 1.524 0.616 0 N-CA-C 111.214 -0.755 . . . . 0.0 111.214 -177.095 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 75.0 m-20 -105.27 106.75 17.38 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.816 0.341 . . . . 0.0 111.126 -174.011 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 80' ' ' TYR . . . . . . . . . . . . . 67.4 m-85 -79.68 69.11 5.92 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.283 175.58 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 91.0 m -63.53 132.76 52.31 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.266 -0.425 . . . . 0.0 111.203 -170.62 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 82' ' ' ILE . . . . . 0.439 HG23 ' HB3' ' A' ' 93' ' ' CYS . 3.5 tt -110.09 139.32 33.9 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-N 116.296 -0.411 . . . . 0.0 111.16 -178.923 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 83' ' ' MET . . . . . . . . . . . . . 63.6 tpp -119.96 120.06 35.27 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.19 -175.112 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -86.92 70.21 10.31 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.335 -0.393 . . . . 0.0 111.161 175.1 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -82.79 122.25 27.96 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.235 -0.438 . . . . 0.0 111.33 -175.429 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 86' ' ' ASN . . . . . 0.624 ' HB2' ' CD ' ' A' ' 87' ' ' PRO . 27.1 p-10 -145.09 178.73 1.34 Allowed Pre-proline 0 C--N 1.327 -0.371 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.156 172.845 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 87' ' ' PRO . . . . . 0.624 ' CD ' ' HB2' ' A' ' 86' ' ' ASN . 77.8 Cg_exo -58.99 -25.14 76.5 Favored 'Trans proline' 0 N--CA 1.456 -0.707 0 C-N-CA 121.795 1.664 . . . . 0.0 111.241 -175.014 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 97.0 mm-40 -93.05 -3.09 54.9 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.187 -171.168 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 139.76 -165.76 25.79 Favored Glycine 0 CA--C 1.523 0.587 0 N-CA-C 111.311 -0.716 . . . . 0.0 111.311 -179.458 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 40.8 ptt180 -148.2 148.76 30.89 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.809 0.337 . . . . 0.0 111.107 179.523 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 61.2 t -132.26 133.52 60.2 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.23 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.155 178.319 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 31.4 t -99.71 137.65 37.88 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.287 -179.582 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 93' ' ' CYS . . . . . 0.439 ' HB3' HG23 ' A' ' 82' ' ' ILE . 47.8 t -136.05 133.59 37.56 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.282 172.919 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 86.0 m -71.43 128.89 37.33 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.19 -173.246 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -100.97 59.92 0.64 Allowed Glycine 0 CA--C 1.524 0.622 0 N-CA-C 111.113 -0.795 . . . . 0.0 111.113 175.367 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 80.9 ttt180 -61.3 111.27 1.68 Allowed 'General case' 0 C--N 1.327 -0.389 0 CA-C-O 120.713 0.292 . . . . 0.0 111.313 -172.041 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 97' ' ' LEU . . . . . 0.415 ' HG ' ' HB2' ' A' ' 17' ' ' TYR . 3.4 mp -116.65 119.89 36.91 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.161 173.349 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 98' ' ' MET . . . . . . . . . . . . . 65.9 ttp -107.96 130.23 55.06 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.299 -179.432 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 96.7 t -111.28 125.0 68.57 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.366 0 CA-C-O 121.027 0.442 . . . . 0.0 111.298 -177.299 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 95.2 mm-40 . . . . . 0 C--N 1.331 -0.227 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.324 -179.918 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.522 -0.107 0 CA-C-O 120.79 0.329 . . . . 0.0 111.21 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 77.8 Cg_exo -53.83 130.0 36.95 Favored 'Trans proline' 0 N--CA 1.458 -0.611 0 C-N-CA 121.738 1.625 . . . . 0.0 111.2 179.918 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 91.6 t80 -155.74 123.8 5.76 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.995 0.426 . . . . 0.0 111.049 174.71 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 53.7 m-85 -70.77 105.95 3.39 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.073 -0.512 . . . . 0.0 111.166 -178.084 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 15.5 pt-20 -71.51 -19.98 62.11 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.121 170.261 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 67.5 ttp -140.71 114.63 9.03 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.191 172.971 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 98.5 mttt -98.38 171.42 8.19 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.083 -0.508 . . . . 0.0 111.209 -175.384 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 96.0 mt -77.52 147.33 35.86 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.185 -179.354 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 97.3 mttt -105.03 165.05 11.34 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.291 -178.706 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 23.5 t-160 -89.85 109.97 20.93 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.165 176.694 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 96.3 m-85 -100.29 144.93 28.72 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.381 -0.372 . . . . 0.0 111.292 -175.734 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 97.3 mttt -111.64 90.63 3.39 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.207 176.06 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 19' ' ' ILE . . . . . 0.407 ' O ' ' HA ' ' A' ' 99' ' ' VAL . 42.8 mm -109.95 140.04 30.61 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.261 -169.433 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 49.8 m-85 -77.6 141.26 39.6 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.315 -0.402 . . . . 0.0 111.254 178.838 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 21.1 pt-20 -51.84 125.5 15.34 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.103 -0.498 . . . . 0.0 111.194 -179.325 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 97.7 -21.01 48.36 Favored Glycine 0 CA--C 1.526 0.78 0 N-CA-C 111.156 -0.778 . . . . 0.0 111.156 177.469 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 60.0 ttm -76.97 135.86 66.84 Favored Pre-proline 0 C--N 1.328 -0.346 0 CA-C-O 120.86 0.362 . . . . 0.0 111.306 -177.67 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 73.9 Cg_endo -71.53 150.38 57.35 Favored 'Trans proline' 0 N--CA 1.459 -0.554 0 C-N-CA 121.601 1.534 . . . . 0.0 111.15 175.823 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 7.8 p -152.56 132.72 3.91 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.239 0 CA-C-N 115.992 -0.549 . . . . 0.0 111.187 177.214 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 92.5 m -109.26 130.82 55.48 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.14 176.423 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 22.3 p90 -147.96 149.61 32.49 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.067 -0.515 . . . . 0.0 111.142 179.492 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 8.9 t -151.39 160.87 43.54 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.133 -163.369 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 27.1 p -139.57 172.66 12.48 Favored 'General case' 0 C--O 1.234 0.259 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.156 175.601 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 57.5 ttt85 -147.61 133.06 18.62 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 116.405 -0.361 . . . . 0.0 111.143 -177.877 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 10.6 p -115.9 128.27 73.23 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.423 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.188 -178.224 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -101.11 69.1 1.28 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.162 -177.696 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -110.46 -178.11 20.74 Favored Glycine 0 CA--C 1.522 0.518 0 N-CA-C 111.221 -0.752 . . . . 0.0 111.221 179.1 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 34' ' ' ASN . . . . . 0.417 ' HA ' ' HA ' ' A' ' 35' ' ' PRO . 54.1 t-20 -158.16 108.39 1.72 Allowed Pre-proline 0 CA--C 1.511 -0.545 0 CA-C-O 121.212 0.53 . . . . 0.0 110.94 178.086 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 35' ' ' PRO . . . . . 0.417 ' HA ' ' HA ' ' A' ' 34' ' ' ASN . 24.6 Cg_exo -73.21 164.87 85.86 Favored 'Cis proline' 0 N--CA 1.457 -0.623 0 C-N-CA 121.694 -2.211 . . . . 0.0 111.174 7.637 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 36' ' ' LYS . . . . . 0.437 ' HD2' ' N ' ' A' ' 36' ' ' LYS . 4.3 mptp? -59.92 111.9 4.59 Favored Pre-proline 0 C--N 1.33 -0.265 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.112 -176.373 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 37' ' ' PRO . . . . . 0.429 ' HB2' ' HB1' ' A' ' 84' ' ' ALA . 51.6 Cg_exo -59.72 146.32 95.79 Favored 'Trans proline' 0 N--CA 1.46 -0.49 0 C-N-CA 121.66 1.573 . . . . 0.0 111.088 -178.766 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 98.9 mttt -87.96 127.72 35.37 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.036 -0.529 . . . . 0.0 111.344 174.345 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 87.4 mt -97.15 116.21 38.84 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.039 -174.198 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 92.7 m-85 -103.32 144.83 30.85 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.269 -178.644 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 41' ' ' TRP . . . . . . . . . . . . . 87.7 m95 -105.75 134.62 48.57 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.236 -177.39 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 36.4 p90 -150.2 141.72 23.46 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.272 166.34 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 14.4 tmtt? -109.57 110.04 21.0 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.188 -173.669 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 93.0 m-20 54.98 33.27 19.82 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.301 -0.409 . . . . 0.0 111.176 -174.772 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 94.89 -0.85 64.93 Favored Glycine 0 CA--C 1.524 0.647 0 N-CA-C 111.218 -0.753 . . . . 0.0 111.218 176.991 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 96.9 mttt -94.6 99.9 11.96 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.827 0.346 . . . . 0.0 111.194 -178.611 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 66.3 tt0 -51.6 128.66 23.83 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.119 -177.95 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 97.3 mt -98.4 124.86 51.76 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.273 -178.756 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 49' ' ' SER . . . . . 0.42 ' HA ' ' HD3' ' A' ' 50' ' ' PRO . 30.3 t -86.41 132.88 41.64 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-N 116.336 -0.393 . . . . 0.0 111.197 175.68 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 50' ' ' PRO . . . . . 0.42 ' HD3' ' HA ' ' A' ' 49' ' ' SER . 52.1 Cg_exo -55.02 140.41 79.99 Favored 'Trans proline' 0 N--CA 1.457 -0.661 0 C-N-CA 121.538 1.492 . . . . 0.0 111.25 177.986 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 98.3 mttt 58.14 54.16 6.08 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.258 177.463 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 15.6 t -95.1 -161.71 0.88 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.143 178.995 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 99.5 m-20 -55.32 -44.91 76.28 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.292 -177.123 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 54' ' ' HIS . . . . . . . . . . . . . 99.3 m-70 -135.81 -4.96 2.2 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.349 -178.564 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 55' ' ' TYR . . . . . . . . . . . . . 18.2 m-30 -110.01 95.63 5.72 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.122 -172.913 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 96.3 m -97.56 115.05 27.11 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.092 -0.504 . . . . 0.0 111.165 178.141 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 98.0 mt -102.49 133.58 45.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.115 -178.681 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 70.8 tp60 -130.02 110.2 11.45 Favored 'General case' 0 C--O 1.234 0.289 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.091 174.053 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 43.1 ttm105 -102.32 99.98 10.11 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.208 -175.651 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 66.5 t0 -71.75 128.08 34.64 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.2 173.159 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 95.0 mt -66.55 -15.26 63.27 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.268 -174.974 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 22.8 t70 -64.52 -26.27 68.35 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.301 -0.408 . . . . 0.0 111.059 178.273 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 132.36 0.23 4.59 Favored Glycine 0 CA--C 1.524 0.601 0 N-CA-C 111.135 -0.786 . . . . 0.0 111.135 176.279 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 84.0 m -100.1 135.23 41.84 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.794 0.331 . . . . 0.0 111.231 177.975 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 65' ' ' CYS . . . . . . . . . . . . . 49.6 t -134.88 123.75 23.95 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.189 178.524 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 50.7 m -110.9 147.87 33.68 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.133 -174.065 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 59.6 tp -126.15 120.25 29.63 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.038 -0.528 . . . . 0.0 111.259 168.715 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 71.5 t60 -97.81 124.76 42.33 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.216 172.896 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 96.9 m -100.38 114.9 28.8 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.133 172.391 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 82.6 m -67.16 -40.08 86.59 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.155 -175.853 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -142.91 89.64 2.14 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.134 -177.173 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 22.9 t -78.05 80.07 4.49 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.137 -177.429 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 58.0 p -83.35 176.37 9.16 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.145 -178.975 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 93.9 mt -59.76 -31.27 69.5 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.16 -175.856 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 99.7 m-20 -72.9 -15.67 61.58 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.134 178.967 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 70.0 m-20 -92.21 -4.84 53.56 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.125 -0.488 . . . . 0.0 111.152 179.157 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 53.9 t0 -68.4 128.28 36.02 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.161 174.091 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 156.36 -164.03 32.28 Favored Glycine 0 CA--C 1.522 0.509 0 N-CA-C 111.185 -0.766 . . . . 0.0 111.185 -178.491 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 73.6 m-80 -97.63 110.2 22.81 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.989 0.423 . . . . 0.0 111.113 -173.826 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 80' ' ' TYR . . . . . . . . . . . . . 75.0 m-85 -81.73 60.36 4.62 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.149 172.615 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 76.0 m -65.03 135.73 55.94 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.209 -176.15 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 42.4 pt -121.31 159.77 23.14 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.152 -176.865 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 83' ' ' MET . . . . . . . . . . . . . 60.0 tpp -133.01 117.39 17.56 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.286 -0.415 . . . . 0.0 111.331 178.259 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 84' ' ' ALA . . . . . 0.429 ' HB1' ' HB2' ' A' ' 37' ' ' PRO . . . -95.09 106.76 18.79 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.38 -0.373 . . . . 0.0 110.972 174.808 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -114.11 133.94 55.22 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.312 -0.404 . . . . 0.0 111.258 -172.774 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 86' ' ' ASN . . . . . 0.642 ' HB2' ' CD ' ' A' ' 87' ' ' PRO . 23.7 p-10 -140.76 -179.87 1.09 Allowed Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.026 0.441 . . . . 0.0 111.055 170.637 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 87' ' ' PRO . . . . . 0.642 ' CD ' ' HB2' ' A' ' 86' ' ' ASN . 78.5 Cg_exo -59.31 -25.39 78.17 Favored 'Trans proline' 0 N--CA 1.458 -0.594 0 C-N-CA 121.691 1.594 . . . . 0.0 111.23 -175.1 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 98.1 mm-40 -94.12 -4.97 48.28 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.236 -169.802 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 144.9 -162.31 28.08 Favored Glycine 0 CA--C 1.522 0.502 0 N-CA-C 111.24 -0.744 . . . . 0.0 111.24 -178.098 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 41.7 ptt180 -150.35 158.63 44.37 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.587 0.232 . . . . 0.0 111.153 179.574 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 13.5 p -142.95 137.76 27.07 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.376 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.15 174.623 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 89.9 p -99.27 165.87 11.48 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.257 -177.271 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 93' ' ' CYS . . . . . . . . . . . . . 46.7 t -158.63 130.03 6.45 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.37 172.335 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 91.9 m -81.21 125.45 30.31 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.356 -175.824 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -103.74 56.9 0.57 Allowed Glycine 0 CA--C 1.523 0.578 0 N-CA-C 111.139 -0.784 . . . . 0.0 111.139 -179.073 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -60.08 110.05 1.11 Allowed 'General case' 0 C--N 1.327 -0.385 0 CA-C-O 120.711 0.291 . . . . 0.0 111.158 -178.257 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 2.5 mp -119.86 140.14 51.3 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.357 -0.383 . . . . 0.0 111.202 174.468 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 98' ' ' MET . . . . . . . . . . . . . 65.5 ttp -120.91 139.39 53.29 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.165 -173.175 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 99' ' ' VAL . . . . . 0.407 ' HA ' ' O ' ' A' ' 19' ' ' ILE . 85.0 t -116.48 135.07 57.93 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.222 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.279 -176.118 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 84.7 mt-30 . . . . . 0 C--N 1.329 -0.285 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.046 179.573 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.456 -0.173 0 CA-C-O 120.718 0.294 . . . . 0.0 111.143 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 34.6 Cg_endo -63.93 146.56 91.56 Favored 'Trans proline' 0 N--CA 1.459 -0.535 0 C-N-CA 121.541 1.494 . . . . 0.0 111.269 179.688 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 87.2 t80 -163.36 140.03 7.17 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.317 -0.401 . . . . 0.0 111.208 -176.862 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 72.3 m-85 -89.89 99.17 12.23 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.126 175.938 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 20.2 pt-20 -75.99 -15.34 60.17 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.161 175.887 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 66.1 ttp -137.59 107.99 6.5 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.167 167.76 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 99.5 mttt -95.37 167.35 11.39 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.193 -169.46 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 92.7 mt -83.05 172.29 12.88 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.278 176.677 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 64.0 pttt -135.04 178.79 6.75 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.172 175.161 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 18.2 t-160 -72.84 108.75 5.96 Favored 'General case' 0 C--O 1.234 0.247 0 CA-C-N 116.094 -0.503 . . . . 0.0 111.118 176.078 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 77.8 m-85 -96.41 145.34 25.73 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.421 -0.354 . . . . 0.0 111.414 -176.281 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 99.0 mttt -135.2 139.74 44.76 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.31 -0.404 . . . . 0.0 111.209 177.057 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 10.0 tp -148.38 150.04 14.6 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-N 116.063 -0.517 . . . . 0.0 111.253 -178.229 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 14.9 m-30 -75.02 144.96 42.82 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.412 -0.358 . . . . 0.0 111.243 171.124 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 87.7 tt0 -54.98 124.96 18.42 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 121.027 0.442 . . . . 0.0 111.094 -177.724 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 104.3 -16.21 49.45 Favored Glycine 0 CA--C 1.524 0.613 0 N-CA-C 111.103 -0.799 . . . . 0.0 111.103 171.593 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 91.0 mtp -85.32 154.97 60.16 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 120.931 0.396 . . . . 0.0 111.286 -176.098 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 81.3 Cg_endo -74.91 153.82 42.49 Favored 'Trans proline' 0 N--CA 1.458 -0.615 0 C-N-CA 121.679 1.586 . . . . 0.0 111.289 177.879 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 48.4 t -134.95 123.92 41.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.088 -0.505 . . . . 0.0 111.21 178.285 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 80.8 p -118.45 128.09 54.28 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.085 -179.191 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 35.3 p90 -156.71 161.29 39.84 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.199 175.928 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 13.2 t -153.17 162.08 41.71 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.169 -172.177 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 37.4 t -147.21 147.6 30.63 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.104 -178.191 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 60.8 ttt85 -124.25 136.32 54.06 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.142 -173.93 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 26.9 m -111.87 160.7 11.08 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.432 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.184 -179.388 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -144.81 77.9 1.55 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.229 177.681 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -122.14 -171.7 14.0 Favored Glycine 0 CA--C 1.522 0.474 0 N-CA-C 111.24 -0.744 . . . . 0.0 111.24 176.746 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 34' ' ' ASN . . . . . 0.479 ' HA ' ' HA ' ' A' ' 35' ' ' PRO . 54.1 t-20 -155.25 105.87 2.24 Favored Pre-proline 0 CA--C 1.51 -0.575 0 CA-C-O 121.154 0.502 . . . . 0.0 110.935 178.741 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 35' ' ' PRO . . . . . 0.479 ' HA ' ' HA ' ' A' ' 34' ' ' ASN . 27.5 Cg_exo -70.88 157.16 95.43 Favored 'Cis proline' 0 N--CA 1.458 -0.609 0 C-N-CA 121.563 -2.266 . . . . 0.0 111.202 6.059 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 36' ' ' LYS . . . . . 0.412 ' HA ' ' HD3' ' A' ' 37' ' ' PRO . 98.6 mttt -56.49 126.11 68.62 Favored Pre-proline 0 C--N 1.331 -0.216 0 CA-C-N 116.092 -0.504 . . . . 0.0 111.036 179.766 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 37' ' ' PRO . . . . . 0.64 ' HA ' ' HB3' ' A' ' 86' ' ' ASN . 78.5 Cg_exo -56.72 145.46 82.33 Favored 'Trans proline' 0 N--CA 1.459 -0.556 0 C-N-CA 121.565 1.51 . . . . 0.0 111.234 -176.741 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 98.8 mttt -91.25 97.12 10.93 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.386 173.257 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 94.5 mt -61.28 120.05 6.43 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.144 -171.485 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 80.3 m-85 -112.13 147.65 35.65 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.239 173.609 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 41' ' ' TRP . . . . . . . . . . . . . 92.6 m95 -116.49 139.92 49.94 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-O 121.036 0.446 . . . . 0.0 111.235 178.919 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 42.7 p90 -151.9 146.44 25.65 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.101 -0.5 . . . . 0.0 111.222 170.002 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 13.1 tmtt? -110.11 109.97 20.68 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.194 -173.627 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 92.0 m-20 54.15 33.7 18.5 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.148 -176.963 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 96.83 -1.92 61.7 Favored Glycine 0 CA--C 1.524 0.633 0 N-CA-C 111.194 -0.762 . . . . 0.0 111.194 176.767 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 96.8 mttt -95.26 99.93 11.8 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.865 0.365 . . . . 0.0 111.153 -177.901 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 66.4 tt0 -50.62 127.53 18.19 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.298 -0.41 . . . . 0.0 111.166 -178.777 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 95.5 mt -96.25 124.07 48.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.203 -177.999 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 49' ' ' SER . . . . . 0.419 ' HA ' ' HD3' ' A' ' 50' ' ' PRO . 31.0 t -84.81 131.75 48.3 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.216 174.504 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 50' ' ' PRO . . . . . 0.419 ' HD3' ' HA ' ' A' ' 49' ' ' SER . 55.1 Cg_exo -54.09 137.12 69.42 Favored 'Trans proline' 0 N--CA 1.457 -0.636 0 C-N-CA 121.682 1.588 . . . . 0.0 111.184 178.156 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 97.8 mttt 59.11 57.65 3.42 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.264 -0.426 . . . . 0.0 111.229 178.401 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 14.1 t -94.99 -161.58 0.87 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.101 179.056 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 99.4 m-20 -55.12 -45.17 75.53 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.226 -178.235 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 54' ' ' HIS . . . . . . . . . . . . . 99.3 m-70 -136.52 -6.38 1.98 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.296 179.227 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 55' ' ' TYR . . . . . . . . . . . . . 21.9 m-30 -105.61 95.93 6.15 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.12 -172.427 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 97.9 m -96.43 123.24 40.01 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.116 179.685 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 98.7 mt -110.57 132.62 58.48 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.313 -0.403 . . . . 0.0 111.084 178.061 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 70.0 tp60 -130.0 110.12 11.41 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.041 174.913 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 40.8 ttm105 -101.8 99.94 10.23 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.249 -175.78 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 66.3 t0 -72.4 131.59 42.81 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.315 -0.402 . . . . 0.0 111.176 174.304 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 95.3 mt -67.75 -13.1 61.83 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.033 -0.53 . . . . 0.0 111.21 -175.459 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 99.3 m-20 -63.88 -26.78 68.76 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.394 -0.366 . . . . 0.0 111.055 177.095 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 128.42 3.35 5.67 Favored Glycine 0 CA--C 1.524 0.595 0 N-CA-C 110.961 -0.856 . . . . 0.0 110.961 177.331 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 89.4 m -108.77 137.34 46.86 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.796 0.331 . . . . 0.0 111.245 177.4 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 65' ' ' CYS . . . . . . . . . . . . . 35.9 t -134.6 134.88 41.75 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.109 175.092 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 48.9 m -110.05 146.62 35.04 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.175 -176.469 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 57.7 tp -124.48 111.72 16.04 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.225 172.681 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 56.1 m170 -108.82 122.64 47.6 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.331 -176.216 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 98.2 m -96.83 120.1 36.53 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.133 175.469 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 80.2 m -65.02 -45.12 86.8 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.06 -0.518 . . . . 0.0 111.237 -175.967 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -144.4 88.58 1.94 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.175 -175.884 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 47.3 t -77.13 109.06 10.67 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.186 -177.631 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 52.9 p -110.26 -178.72 3.58 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 116.322 -0.399 . . . . 0.0 111.111 179.538 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 97.2 mt -60.87 -28.69 69.05 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.054 -0.521 . . . . 0.0 111.163 -178.361 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 98.9 m-20 -76.88 -17.54 58.89 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.04 176.758 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 67.6 m-20 -94.92 -14.95 24.01 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.268 178.792 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 57.1 t0 -55.89 127.98 32.88 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.149 173.883 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 160.72 -163.62 34.22 Favored Glycine 0 CA--C 1.524 0.636 0 N-CA-C 111.163 -0.775 . . . . 0.0 111.163 -179.217 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 73.7 m-80 -106.38 108.99 20.78 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.928 0.394 . . . . 0.0 111.135 -174.502 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 80' ' ' TYR . . . . . . . . . . . . . 56.7 m-85 -84.0 70.22 10.43 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.214 177.568 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 85.5 m -64.87 135.19 55.45 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.241 -170.847 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 4.6 tt -108.5 139.97 28.87 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.141 -179.779 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 83' ' ' MET . . . . . . . . . . . . . 64.1 ttp -121.3 120.39 34.96 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.369 -176.4 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -88.73 69.41 8.72 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.348 -0.387 . . . . 0.0 111.039 175.676 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -78.92 124.05 27.86 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.313 -0.403 . . . . 0.0 111.234 -175.84 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 86' ' ' ASN . . . . . 0.64 ' HB3' ' HA ' ' A' ' 37' ' ' PRO . 27.1 p-10 -147.35 178.12 1.55 Allowed Pre-proline 0 C--N 1.329 -0.31 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.238 172.306 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 87' ' ' PRO . . . . . 0.612 ' CD ' ' HB2' ' A' ' 86' ' ' ASN . 76.8 Cg_exo -58.45 -25.05 72.05 Favored 'Trans proline' 0 N--CA 1.456 -0.722 0 C-N-CA 121.788 1.658 . . . . 0.0 111.233 -175.399 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 96.8 mm-40 -92.89 -5.21 51.4 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.16 -170.561 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 143.59 -154.24 25.4 Favored Glycine 0 CA--C 1.525 0.662 0 N-CA-C 111.243 -0.743 . . . . 0.0 111.243 179.953 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 40.5 ptt180 -155.95 149.28 24.64 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.551 0.215 . . . . 0.0 111.185 177.89 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 59.4 t -128.07 130.91 69.81 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.276 176.826 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 31.4 t -103.28 133.93 47.53 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.326 -179.566 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 93' ' ' CYS . . . . . . . . . . . . . 52.6 t -135.39 131.81 36.77 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.297 174.424 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 85.4 m -71.25 128.01 34.48 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.361 -0.382 . . . . 0.0 111.221 -173.708 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -101.61 58.22 0.64 Allowed Glycine 0 CA--C 1.524 0.641 0 N-CA-C 111.041 -0.824 . . . . 0.0 111.041 175.635 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 80.8 ttt180 -58.53 123.07 15.01 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.707 0.289 . . . . 0.0 111.244 -173.49 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 56.8 tp -130.14 114.18 15.4 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.078 172.121 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 98' ' ' MET . . . . . . . . . . . . . 98.3 mmm -99.93 141.28 32.96 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.13 -0.487 . . . . 0.0 111.107 179.731 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 85.9 t -116.38 119.45 61.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.047 -0.524 . . . . 0.0 111.242 -177.132 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 62.8 tp60 . . . . . 0 C--N 1.331 -0.225 0 CA-C-N 116.092 -0.504 . . . . 0.0 111.158 178.158 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.455 -0.21 0 CA-C-O 120.825 0.345 . . . . 0.0 111.197 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 76.5 Cg_exo -54.23 130.76 41.38 Favored 'Trans proline' 0 C--N 1.327 -0.579 0 C-N-CA 121.678 1.586 . . . . 0.0 111.117 -179.942 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 90.3 t80 -144.13 120.25 10.77 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.22 177.65 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 78.2 m-85 -68.71 83.94 0.29 Allowed 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.078 -0.51 . . . . 0.0 111.234 -179.377 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 16.5 pt-20 -64.89 -20.65 66.55 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.197 176.711 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 67.4 ttp -138.06 111.35 7.96 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.153 169.991 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 99.6 mttt -95.36 165.08 12.55 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.19 -172.242 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 90.4 mt -79.59 157.84 27.25 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.293 176.39 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 97.2 mttt -113.64 175.65 5.37 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.24 178.647 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 16.3 t-160 -78.03 106.65 10.04 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.147 173.227 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 76.1 m-85 -97.45 142.62 29.07 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.233 -173.015 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 99.6 mttt -136.6 119.39 16.2 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.294 -0.412 . . . . 0.0 111.239 178.239 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 2.8 pp -137.29 178.59 4.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.194 177.545 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 91.7 m-85 -102.27 145.85 28.85 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.237 -177.814 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 21' ' ' GLU . . . . . 0.499 ' HG3' ' O ' ' A' ' 21' ' ' GLU . 11.0 pt-20 -54.77 124.98 18.2 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.117 -176.455 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 101.17 -12.85 58.8 Favored Glycine 0 CA--C 1.524 0.634 0 N-CA-C 111.181 -0.767 . . . . 0.0 111.181 173.783 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 98.4 mmm -87.43 150.18 48.38 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 120.883 0.373 . . . . 0.0 111.361 -178.35 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 74.0 Cg_endo -71.32 154.33 61.25 Favored 'Trans proline' 0 N--CA 1.46 -0.498 0 C-N-CA 121.65 1.567 . . . . 0.0 111.264 173.961 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 8.3 p -152.07 130.1 2.59 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.365 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.147 176.256 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 87.2 m -112.09 130.0 56.03 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.244 179.814 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 35.2 p90 -148.46 150.38 33.36 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.246 176.832 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 9.3 t -150.83 155.86 40.07 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.308 -0.406 . . . . 0.0 111.123 -166.307 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 37.7 t -144.79 147.08 32.48 Favored 'General case' 0 C--O 1.234 0.244 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.192 -178.872 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 78.4 ttt180 -127.61 137.87 52.69 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.365 -0.379 . . . . 0.0 111.047 -173.431 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 60.6 t -124.99 125.91 70.33 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.222 -173.312 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -88.14 65.47 8.15 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.169 177.269 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -107.1 162.68 13.38 Favored Glycine 0 CA--C 1.523 0.538 0 N-CA-C 111.196 -0.761 . . . . 0.0 111.196 -177.466 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 34' ' ' ASN . . . . . 0.432 ' HA ' ' HA ' ' A' ' 35' ' ' PRO . 54.0 t-20 -155.06 108.28 2.29 Favored Pre-proline 0 CA--C 1.511 -0.52 0 CA-C-O 121.227 0.537 . . . . 0.0 110.927 178.795 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 35' ' ' PRO . . . . . 0.432 ' HA ' ' HA ' ' A' ' 34' ' ' ASN . 25.1 Cg_exo -74.64 163.35 90.69 Favored 'Cis proline' 0 N--CA 1.458 -0.601 0 C-N-CA 121.484 -2.298 . . . . 0.0 111.233 9.522 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 66.8 mmtt -54.43 117.25 12.77 Favored Pre-proline 0 C--O 1.232 0.176 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.021 179.288 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 37' ' ' PRO . . . . . 0.513 ' HA ' ' HB3' ' A' ' 86' ' ' ASN . 50.3 Cg_exo -58.59 148.3 82.45 Favored 'Trans proline' 0 N--CA 1.458 -0.579 0 C-N-CA 121.687 1.592 . . . . 0.0 111.234 -178.154 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 99.5 mttt -80.03 69.94 6.51 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.209 176.665 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 92.9 mt -41.96 118.45 0.21 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.23 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.181 -170.291 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 75.6 m-85 -107.35 149.51 27.76 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.33 -0.395 . . . . 0.0 111.365 175.938 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 41' ' ' TRP . . . . . . . . . . . . . 83.8 m95 -122.53 139.99 53.27 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-O 121.095 0.474 . . . . 0.0 111.175 176.932 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 42' ' ' PHE . . . . . 0.403 ' HB3' ' HA ' ' A' ' 47' ' ' GLN . 39.2 p90 -152.76 146.43 25.09 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.08 -0.509 . . . . 0.0 111.227 172.288 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 43' ' ' LYS . . . . . 0.421 ' HB2' HD11 ' A' ' 48' ' ' ILE . 11.7 tmtt? -110.04 109.99 20.74 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.241 -174.661 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 92.1 m-20 54.27 33.55 18.5 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.256 -176.54 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 96.25 -0.32 61.89 Favored Glycine 0 CA--C 1.524 0.646 0 N-CA-C 111.29 -0.724 . . . . 0.0 111.29 176.512 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 96.8 mttt -95.04 100.18 12.05 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.924 0.392 . . . . 0.0 111.172 -178.666 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 47' ' ' GLN . . . . . 0.403 ' HA ' ' HB3' ' A' ' 42' ' ' PHE . 66.3 tt0 -52.46 129.56 29.1 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.259 -178.195 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 48' ' ' ILE . . . . . 0.421 HD11 ' HB2' ' A' ' 43' ' ' LYS . 96.3 mt -105.12 124.99 60.22 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.055 -0.521 . . . . 0.0 111.044 -178.608 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 29.8 t -87.09 135.74 34.68 Favored Pre-proline 0 C--N 1.327 -0.379 0 CA-C-N 116.246 -0.433 . . . . 0.0 111.22 173.831 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_exo -54.81 142.41 74.41 Favored 'Trans proline' 0 N--CA 1.457 -0.628 0 C-N-CA 121.692 1.595 . . . . 0.0 111.242 178.206 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 97.8 mttt 59.4 56.71 3.64 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.344 -0.389 . . . . 0.0 111.211 178.447 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 12.6 t -94.86 -161.12 0.83 Allowed 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.344 178.251 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 99.4 m-20 -55.01 -45.94 75.15 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.268 -0.423 . . . . 0.0 111.225 -178.518 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 54' ' ' HIS . . . . . . . . . . . . . 99.8 m-70 -136.56 -6.39 1.97 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.389 177.995 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 55' ' ' TYR . . . . . . . . . . . . . 22.3 m-30 -101.15 93.16 5.32 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.117 -173.376 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 98.8 m -95.1 114.97 26.83 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.175 179.095 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 92.8 mt -106.81 115.15 47.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.345 -0.389 . . . . 0.0 111.148 -179.563 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 98.6 mm-40 -107.76 109.49 21.07 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.157 174.526 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 38.3 ttm105 -99.97 100.02 10.85 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.311 -0.404 . . . . 0.0 111.205 -176.498 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 62.8 t0 -73.17 135.84 44.69 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.355 -0.384 . . . . 0.0 111.24 176.352 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 95.5 mt -69.73 -10.2 57.4 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.114 -177.353 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 99.0 m-20 -67.05 -17.18 64.78 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.152 175.636 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 113.19 13.77 10.52 Favored Glycine 0 CA--C 1.525 0.679 0 N-CA-C 111.081 -0.807 . . . . 0.0 111.081 176.189 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 10.2 t -125.44 141.17 52.21 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.833 0.349 . . . . 0.0 111.191 179.247 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 65' ' ' CYS . . . . . . . . . . . . . 36.3 t -137.2 138.36 40.1 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.154 -177.49 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 42.3 t -118.35 126.73 52.72 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.25 -177.775 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 67' ' ' LEU . . . . . 0.599 ' C ' HD23 ' A' ' 67' ' ' LEU . 4.1 tt -100.15 82.6 2.55 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.147 177.293 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 70.6 t60 -73.24 120.03 18.3 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.357 -0.383 . . . . 0.0 111.349 179.983 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 89.5 m -100.57 121.04 40.93 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.052 -0.522 . . . . 0.0 111.11 177.283 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 80.6 m -69.55 -44.22 71.35 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.169 -175.1 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -144.93 87.84 1.86 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.213 -175.819 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 43.1 t -82.56 106.76 14.69 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.183 179.986 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 45.3 p -100.69 179.94 4.27 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.075 -0.511 . . . . 0.0 111.203 -178.434 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 94.0 mt -59.13 -32.21 69.64 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.107 -179.379 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 98.9 m-20 -74.99 -15.64 60.65 Favored 'General case' 0 N--CA 1.453 -0.287 0 CA-C-N 116.297 -0.411 . . . . 0.0 111.111 178.477 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 70.2 m-20 -95.19 -2.61 49.35 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.295 178.796 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 57.8 t0 -66.18 127.18 31.16 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.19 176.546 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 161.9 -163.47 34.79 Favored Glycine 0 CA--C 1.525 0.699 0 N-CA-C 111.289 -0.724 . . . . 0.0 111.289 -179.073 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 73.6 m-80 -105.48 109.16 21.03 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 120.861 0.362 . . . . 0.0 111.205 -173.517 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 80' ' ' TYR . . . . . . . . . . . . . 27.9 m-85 -83.68 70.02 10.25 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.088 178.099 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 88.3 m -64.77 134.64 54.56 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.226 -172.485 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 1.8 tt -107.45 140.07 27.03 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.266 -0.425 . . . . 0.0 111.146 177.373 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 83' ' ' MET . . . . . . . . . . . . . 65.9 ttp -122.47 119.94 32.44 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.316 -178.561 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -90.94 79.92 5.83 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.275 -0.421 . . . . 0.0 111.086 178.096 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -92.34 119.13 31.6 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.208 -175.64 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 86' ' ' ASN . . . . . 0.63 ' HB2' ' CD ' ' A' ' 87' ' ' PRO . 21.7 p-10 -140.12 179.89 1.16 Allowed Pre-proline 0 C--N 1.329 -0.289 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.221 172.624 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 87' ' ' PRO . . . . . 0.63 ' CD ' ' HB2' ' A' ' 86' ' ' ASN . 75.6 Cg_exo -58.93 -26.09 79.79 Favored 'Trans proline' 0 N--CA 1.456 -0.704 0 C-N-CA 121.706 1.604 . . . . 0.0 111.249 -174.895 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 96.8 mm-40 -90.24 -4.96 56.87 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.173 -171.976 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 138.53 -172.96 22.78 Favored Glycine 0 CA--C 1.523 0.587 0 N-CA-C 111.234 -0.746 . . . . 0.0 111.234 179.468 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 41.4 ptt180 -144.3 157.52 44.23 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.724 0.297 . . . . 0.0 111.074 -177.751 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 9.2 p -159.83 141.29 4.33 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.196 -179.868 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 67.7 m -111.31 152.12 27.59 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.292 -171.587 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 93' ' ' CYS . . . . . . . . . . . . . 44.0 t -140.46 135.0 31.54 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.314 172.985 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 87.3 m -70.17 129.36 39.18 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.164 -172.98 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -103.98 55.88 0.6 Allowed Glycine 0 CA--C 1.523 0.583 0 N-CA-C 111.211 -0.756 . . . . 0.0 111.211 176.701 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 78.5 ttt180 -53.52 113.19 1.08 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.671 0.272 . . . . 0.0 111.369 -175.407 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 61.4 tp -121.96 109.94 15.22 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.351 -0.386 . . . . 0.0 111.128 172.302 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 98' ' ' MET . . . . . . . . . . . . . 99.0 mmm -96.28 145.19 25.79 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.11 -0.495 . . . . 0.0 111.089 179.866 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 59.2 t -123.48 129.89 74.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-O 121.083 0.468 . . . . 0.0 111.057 -176.757 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 99.5 mm-40 . . . . . 0 C--N 1.331 -0.198 0 CA-C-N 116.07 -0.514 . . . . 0.0 111.26 179.608 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.457 -0.083 0 CA-C-O 120.766 0.317 . . . . 0.0 111.173 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 63.4 Cg_exo -54.66 133.02 54.88 Favored 'Trans proline' 0 N--CA 1.459 -0.537 0 C-N-CA 121.64 1.56 . . . . 0.0 111.248 179.868 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 89.2 t80 -150.93 123.92 8.72 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.282 -0.417 . . . . 0.0 111.149 176.86 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 68.7 m-85 -68.98 84.98 0.33 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.172 179.494 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 16.6 pt-20 -63.8 -21.7 66.55 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.168 174.65 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 66.4 ttp -131.58 112.09 12.31 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.217 167.469 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 98.8 mttt -96.02 165.75 12.1 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.334 -170.264 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 94.1 mt -84.39 170.77 13.24 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.295 177.198 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 64.1 pttt -134.93 178.78 6.76 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.253 176.299 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 18.1 t-160 -72.27 108.14 5.26 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.076 -0.511 . . . . 0.0 111.172 174.477 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 85.1 m-85 -95.17 143.72 26.37 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.31 -0.404 . . . . 0.0 111.268 -175.827 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 99.1 mttt -133.96 138.13 45.28 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.364 177.692 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 10.5 tp -148.93 150.66 13.81 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.366 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.142 -178.1 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 59.6 m-85 -79.22 148.18 32.32 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.318 174.403 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 88.5 tt0 -54.6 123.3 12.73 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.209 -177.326 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 99.97 -13.2 60.65 Favored Glycine 0 CA--C 1.522 0.502 0 N-CA-C 111.254 -0.739 . . . . 0.0 111.254 171.542 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 97.8 mmm -84.98 154.49 60.82 Favored Pre-proline 0 C--N 1.328 -0.331 0 CA-C-O 120.839 0.352 . . . . 0.0 111.345 -176.651 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 72.6 Cg_endo -76.29 154.08 36.26 Favored 'Trans proline' 0 C--N 1.328 -0.504 0 C-N-CA 121.632 1.554 . . . . 0.0 111.192 -179.098 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 57.7 t -134.13 125.4 48.09 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.068 178.069 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 91.4 m -127.19 124.67 39.53 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.249 -179.125 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 51.5 p90 -158.36 164.98 35.81 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.198 172.64 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 11.6 t -146.32 161.65 39.86 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.136 -171.366 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 21.1 t -141.08 142.4 34.15 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.137 -177.941 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 44.2 ttm180 -123.09 137.18 54.99 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.295 -0.412 . . . . 0.0 111.215 -175.099 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 67.5 t -124.49 125.17 69.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.264 -173.717 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -86.61 65.24 8.93 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.254 177.95 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -108.61 160.17 13.83 Favored Glycine 0 CA--C 1.521 0.45 0 N-CA-C 111.231 -0.748 . . . . 0.0 111.231 -178.116 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 34' ' ' ASN . . . . . 0.433 ' HA ' ' HA ' ' A' ' 35' ' ' PRO . 54.1 t-20 -155.03 108.04 2.29 Favored Pre-proline 0 CA--C 1.51 -0.567 0 CA-C-O 121.217 0.532 . . . . 0.0 110.988 178.541 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 35' ' ' PRO . . . . . 0.433 ' HA ' ' HA ' ' A' ' 34' ' ' ASN . 24.6 Cg_exo -74.53 168.98 75.45 Favored 'Cis proline' 0 N--CA 1.456 -0.687 0 C-N-CA 121.579 -2.259 . . . . 0.0 111.211 9.348 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 3.1 mptp? -60.01 115.8 14.57 Favored Pre-proline 0 C--N 1.331 -0.197 0 CA-C-N 116.004 -0.544 . . . . 0.0 111.059 -178.872 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 37' ' ' PRO . . . . . 0.474 ' HA ' ' HB3' ' A' ' 86' ' ' ASN . 52.5 Cg_exo -59.06 150.85 70.49 Favored 'Trans proline' 0 N--CA 1.458 -0.613 0 C-N-CA 121.618 1.546 . . . . 0.0 111.246 -176.213 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 99.2 mttt -81.38 81.75 7.43 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.29 176.016 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 96.2 mt -59.87 123.68 12.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.094 -174.629 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 75.1 m-85 -117.63 144.95 44.69 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.244 174.32 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 41' ' ' TRP . . . . . . . . . . . . . 93.8 m95 -107.79 140.93 40.14 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.245 173.037 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 38.8 p90 -150.33 146.04 26.5 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.353 171.14 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 12.0 tmtt? -110.06 109.99 20.73 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.204 -173.083 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 89.5 m-20 53.79 33.23 16.48 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.144 -176.313 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 96.72 -0.24 60.94 Favored Glycine 0 CA--C 1.525 0.718 0 N-CA-C 111.026 -0.83 . . . . 0.0 111.026 176.673 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 96.9 mttt -95.09 100.33 12.17 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 120.747 0.308 . . . . 0.0 111.115 -178.512 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 66.3 tt0 -51.51 129.03 24.57 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.338 -0.392 . . . . 0.0 111.192 -178.024 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 94.4 mt -100.07 124.94 53.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.167 -179.331 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 30.3 t -87.84 133.03 38.45 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.269 174.296 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_exo -54.7 140.93 76.7 Favored 'Trans proline' 0 N--CA 1.457 -0.67 0 C-N-CA 121.683 1.589 . . . . 0.0 111.242 178.159 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 98.1 mttt 58.73 54.62 5.15 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.197 177.371 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 14.8 t -95.02 -162.19 0.93 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.231 178.488 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 99.6 m-20 -55.74 -45.83 77.94 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.29 -0.414 . . . . 0.0 111.168 -177.631 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 54' ' ' HIS . . . . . . . . . . . . . 99.4 m-70 -135.85 -4.93 2.2 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.11 -0.495 . . . . 0.0 111.206 179.565 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 55' ' ' TYR . . . . . . . . . . . . . 22.0 m-30 -107.38 95.5 5.75 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-O 121.131 0.491 . . . . 0.0 111.082 -173.437 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 98.0 m -99.07 124.51 44.13 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-N 116.059 -0.518 . . . . 0.0 111.11 179.751 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 96.2 mt -114.21 124.52 70.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.312 -0.404 . . . . 0.0 111.081 -179.312 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 99.2 mm-40 -103.84 133.77 48.26 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.133 173.813 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 99.6 mtt180 -116.0 105.79 13.04 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.367 -0.379 . . . . 0.0 111.173 -174.601 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 67.3 t0 -90.73 119.97 31.4 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.328 -0.397 . . . . 0.0 111.273 172.474 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 95.8 mt -70.14 -7.81 44.64 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.217 -170.576 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 96.8 m-20 -69.89 -16.96 63.32 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.322 -0.399 . . . . 0.0 111.014 176.804 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 120.51 22.68 3.03 Favored Glycine 0 CA--C 1.524 0.634 0 N-CA-C 111.024 -0.83 . . . . 0.0 111.024 179.249 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 35.1 m -125.53 142.84 51.29 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-O 120.844 0.354 . . . . 0.0 111.326 -179.145 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 65' ' ' CYS . . . . . . . . . . . . . 20.4 t -140.89 138.08 33.65 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.235 -0.438 . . . . 0.0 111.086 178.35 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 33.3 t -120.73 137.51 54.45 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.065 -0.516 . . . . 0.0 111.303 -174.62 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 64.9 tp -114.87 123.06 48.2 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.193 179.479 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 77.3 t60 -118.19 121.58 40.85 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.255 178.753 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 95.8 m -98.37 119.68 37.48 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.037 -0.529 . . . . 0.0 111.145 171.904 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 79.9 m -64.51 -45.11 88.65 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.277 -175.989 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -144.79 88.3 1.9 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.078 -0.51 . . . . 0.0 111.19 -176.626 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 47.6 t -76.48 107.25 8.62 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.016 -0.538 . . . . 0.0 111.203 -177.274 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 52.3 p -107.06 -179.73 4.02 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.209 -179.685 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 97.3 mt -61.69 -26.77 68.24 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.229 -178.188 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 98.8 m-20 -77.81 -17.81 57.05 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.099 176.132 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 69.0 m-20 -93.97 -13.97 26.44 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.218 178.639 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 57.1 t0 -56.83 127.29 30.93 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.203 174.855 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 161.62 -164.52 35.19 Favored Glycine 0 CA--C 1.525 0.698 0 N-CA-C 111.191 -0.764 . . . . 0.0 111.191 -179.736 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 74.2 m-80 -104.95 108.59 20.19 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-O 120.84 0.353 . . . . 0.0 111.227 -173.95 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 80' ' ' TYR . . . . . . . . . . . . . 52.8 m-85 -84.76 70.47 10.82 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.186 178.331 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 86.5 m -65.05 135.11 55.19 Favored 'General case' 0 C--O 1.234 0.261 0 CA-C-N 116.264 -0.425 . . . . 0.0 111.089 -172.938 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 2.7 tt -108.51 139.96 28.9 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.392 0 CA-C-O 120.968 0.413 . . . . 0.0 111.044 177.841 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 83' ' ' MET . . . . . . . . . . . . . 60.4 ttm -126.78 123.34 37.17 Favored 'General case' 0 C--N 1.332 -0.169 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.258 179.146 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -106.23 92.55 4.18 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.288 -0.415 . . . . 0.0 111.175 178.739 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -102.62 128.93 49.09 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.287 -173.934 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 86' ' ' ASN . . . . . 0.651 ' HB2' ' CD ' ' A' ' 87' ' ' PRO . 22.7 p-10 -141.45 -179.93 1.09 Allowed Pre-proline 0 C--N 1.326 -0.425 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.258 172.355 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 87' ' ' PRO . . . . . 0.651 ' CD ' ' HB2' ' A' ' 86' ' ' ASN . 71.5 Cg_exo -57.91 -25.82 71.52 Favored 'Trans proline' 0 N--CA 1.456 -0.699 0 C-N-CA 121.605 1.537 . . . . 0.0 111.418 -174.676 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 97.9 mm-40 -91.6 -5.11 54.49 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.029 -0.532 . . . . 0.0 111.083 -171.274 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 140.83 -169.15 25.02 Favored Glycine 0 CA--C 1.524 0.651 0 N-CA-C 111.27 -0.732 . . . . 0.0 111.27 -179.309 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 41.1 ptt180 -144.99 159.99 42.07 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.614 0.245 . . . . 0.0 111.224 -179.417 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 14.6 p -152.52 140.0 13.49 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.071 179.145 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 67.0 m -120.12 152.7 37.24 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.918 0.389 . . . . 0.0 111.369 -173.714 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 93' ' ' CYS . . . . . . . . . . . . . 45.5 t -147.42 139.83 24.6 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.284 175.671 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 86.5 m -77.71 127.27 32.18 Favored 'General case' 0 C--O 1.234 0.249 0 CA-C-N 116.302 -0.408 . . . . 0.0 111.321 -173.378 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -99.64 55.44 0.91 Allowed Glycine 0 CA--C 1.524 0.612 0 N-CA-C 111.166 -0.774 . . . . 0.0 111.166 177.355 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 79.9 ttt180 -52.35 115.34 1.7 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.642 0.258 . . . . 0.0 111.252 -177.639 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 61.3 tp -124.47 110.03 14.0 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.222 172.609 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 98' ' ' MET . . . . . . . . . . . . . 98.9 mmm -97.61 141.56 30.49 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.204 -179.951 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 76.3 t -117.22 128.71 74.5 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.264 -0.426 . . . . 0.0 111.205 -176.238 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 99.2 mm-40 . . . . . 0 C--N 1.33 -0.271 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.241 177.862 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.126 0 CA-C-O 120.824 0.345 . . . . 0.0 111.187 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 69.5 Cg_exo -54.84 129.71 36.65 Favored 'Trans proline' 0 N--CA 1.458 -0.583 0 C-N-CA 121.832 1.688 . . . . 0.0 111.236 -179.88 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 90.1 t80 -153.44 123.43 6.91 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.284 -0.416 . . . . 0.0 111.139 172.832 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 35.4 m-85 -70.09 93.32 0.8 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.083 -0.508 . . . . 0.0 111.143 -175.798 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 17.0 pt-20 -63.06 -20.08 65.0 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.15 174.423 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 66.6 ttp -136.1 101.5 4.73 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.143 171.9 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 98.8 mttt -88.12 167.74 13.38 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.22 -172.632 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 95.7 mt -79.16 154.84 28.99 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.209 176.949 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 97.5 mttt -115.01 179.76 3.86 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.087 -0.506 . . . . 0.0 111.247 177.009 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 19.9 t-160 -74.81 110.04 8.77 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.101 -0.499 . . . . 0.0 111.161 173.498 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 69.5 m-85 -101.58 147.44 26.4 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.331 -0.395 . . . . 0.0 111.16 -174.8 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 98.9 mttt -135.07 140.01 45.21 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.244 177.285 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 10.7 tp -150.0 149.56 14.44 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.369 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.035 -178.52 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 56.2 m-85 -77.43 145.93 36.85 Favored 'General case' 0 C--N 1.332 -0.179 0 CA-C-N 116.134 -0.484 . . . . 0.0 111.284 177.943 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 88.4 tt0 -55.43 124.25 16.56 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.2 -176.5 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 94.92 -10.53 70.21 Favored Glycine 0 CA--C 1.524 0.596 0 N-CA-C 111.213 -0.755 . . . . 0.0 111.213 172.616 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 95.9 mmm -90.55 153.12 45.83 Favored Pre-proline 0 C--N 1.327 -0.397 0 CA-C-O 120.895 0.378 . . . . 0.0 111.263 -176.148 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 72.1 Cg_endo -74.74 152.55 42.3 Favored 'Trans proline' 0 C--N 1.329 -0.497 0 C-N-CA 121.676 1.584 . . . . 0.0 111.208 178.489 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 8.8 p -152.63 134.23 5.38 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.173 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.129 176.6 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 82.0 m -119.86 135.32 54.92 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.012 -178.687 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 26.9 p90 -149.99 154.74 38.72 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.128 174.794 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 12.6 t -147.32 162.19 39.47 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.088 -0.506 . . . . 0.0 111.171 -168.384 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 34.1 t -147.44 147.78 30.58 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.303 -0.408 . . . . 0.0 111.186 -177.949 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 43.4 ttm180 -126.22 139.95 52.93 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.293 -0.412 . . . . 0.0 111.16 -175.809 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 10.6 p -124.81 133.62 68.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.195 -175.868 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -92.79 65.12 4.16 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.092 -0.504 . . . . 0.0 111.241 177.573 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -108.09 158.93 14.6 Favored Glycine 0 CA--C 1.521 0.435 0 N-CA-C 111.242 -0.743 . . . . 0.0 111.242 -176.649 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 34' ' ' ASN . . . . . 0.426 ' HA ' ' HA ' ' A' ' 35' ' ' PRO . 54.1 t-20 -154.88 108.89 2.32 Favored Pre-proline 0 CA--C 1.51 -0.558 0 CA-C-O 121.155 0.503 . . . . 0.0 110.986 177.18 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 35' ' ' PRO . . . . . 0.426 ' HA ' ' HA ' ' A' ' 34' ' ' ASN . 24.3 Cg_exo -74.54 165.9 84.3 Favored 'Cis proline' 0 N--CA 1.456 -0.701 0 C-N-CA 121.512 -2.287 . . . . 0.0 111.299 8.909 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 36' ' ' LYS . . . . . 0.411 ' HD2' ' N ' ' A' ' 36' ' ' LYS . 4.6 mptp? -59.6 115.76 13.91 Favored Pre-proline 0 C--N 1.332 -0.181 0 CA-C-N 115.988 -0.551 . . . . 0.0 111.035 -178.724 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 37' ' ' PRO . . . . . 0.574 ' HA ' ' HB3' ' A' ' 86' ' ' ASN . 50.5 Cg_exo -59.92 152.94 60.77 Favored 'Trans proline' 0 N--CA 1.459 -0.512 0 C-N-CA 121.594 1.53 . . . . 0.0 111.182 -176.111 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 99.7 mttt -82.59 70.11 9.5 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.502 177.29 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 77.8 mt -41.96 125.12 0.57 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.222 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.049 -175.633 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 77.6 m-85 -112.04 144.82 40.76 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.234 173.653 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 41' ' ' TRP . . . . . . . . . . . . . 93.6 m95 -109.48 138.81 45.28 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.179 172.203 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 34.7 p90 -152.45 145.86 24.83 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.073 -0.512 . . . . 0.0 111.319 170.992 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 12.1 tmtt? -109.92 109.95 20.73 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.284 -0.416 . . . . 0.0 111.295 -174.522 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 87.9 m-20 53.35 33.19 15.18 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.132 -175.557 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 96.71 0.33 60.69 Favored Glycine 0 CA--C 1.524 0.649 0 N-CA-C 111.082 -0.807 . . . . 0.0 111.082 176.525 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 97.4 mttt -94.93 101.57 13.35 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.872 0.368 . . . . 0.0 111.258 -178.695 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 66.3 tt0 -51.7 129.95 27.35 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.288 -0.414 . . . . 0.0 111.285 -177.265 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 96.1 mt -101.99 125.06 56.21 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.197 -179.557 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 49' ' ' SER . . . . . 0.424 ' HA ' ' HD3' ' A' ' 50' ' ' PRO . 30.3 t -88.75 135.0 32.69 Favored Pre-proline 0 C--N 1.327 -0.41 0 CA-C-N 116.295 -0.412 . . . . 0.0 111.176 175.516 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 50' ' ' PRO . . . . . 0.424 ' HD3' ' HA ' ' A' ' 49' ' ' SER . 53.1 Cg_exo -55.04 138.22 78.11 Favored 'Trans proline' 0 N--CA 1.46 -0.471 0 C-N-CA 121.565 1.51 . . . . 0.0 111.2 178.348 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 97.8 mttt 58.84 57.04 3.8 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.079 -0.509 . . . . 0.0 111.226 177.722 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 13.7 t -94.94 -161.53 0.87 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.228 178.48 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 99.6 m-20 -55.21 -45.34 75.9 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.304 -178.038 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 54' ' ' HIS . . . . . . . . . . . . . 99.4 m-70 -136.22 -5.13 2.1 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.433 179.291 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 55' ' ' TYR . . . . . . . . . . . . . 22.3 m-30 -106.26 94.95 5.43 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.103 -0.499 . . . . 0.0 111.108 -172.935 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 96.8 m -98.95 124.14 43.71 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.166 -179.734 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 96.6 mt -111.14 125.08 68.45 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.236 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.149 -177.765 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 99.2 mm-40 -103.92 136.6 43.27 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.267 172.374 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 62.2 mtp180 -121.18 97.7 5.64 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.322 -0.399 . . . . 0.0 111.232 -172.505 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 67.5 t0 -84.82 120.22 26.2 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.199 173.457 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 96.0 mt -71.54 -7.06 45.24 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.084 -0.507 . . . . 0.0 111.117 -170.187 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 96.4 m-20 -70.08 -16.54 63.14 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.372 -0.376 . . . . 0.0 111.066 176.414 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 120.66 23.37 2.83 Favored Glycine 0 CA--C 1.524 0.631 0 N-CA-C 111.041 -0.824 . . . . 0.0 111.041 179.044 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 47.2 m -126.3 139.93 52.92 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.83 0.348 . . . . 0.0 111.226 -179.424 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 65' ' ' CYS . . . . . . . . . . . . . 11.9 t -140.2 140.06 35.78 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.153 178.026 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 40.0 t -125.48 137.13 53.96 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.164 -174.104 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 66.9 tp -114.32 119.97 38.78 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.178 177.142 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 63.1 t60 -109.79 128.85 55.58 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.335 177.608 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 91.9 m -103.63 118.55 36.98 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.147 173.117 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 83.1 m -66.19 -43.3 87.22 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.236 -175.937 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -142.91 85.83 1.9 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.13 -176.762 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 46.8 t -78.37 106.43 10.29 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.039 -0.528 . . . . 0.0 111.17 -177.159 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 54.4 p -104.96 179.32 4.3 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.193 -179.767 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 97.0 mt -61.86 -26.18 67.99 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.048 -0.524 . . . . 0.0 111.257 -178.672 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 98.8 m-20 -76.85 -19.16 57.82 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.058 -0.519 . . . . 0.0 111.157 175.178 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 67.8 m-20 -93.14 -16.07 25.31 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.11 178.085 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 56.8 t0 -54.96 127.98 31.33 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.195 174.289 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 161.19 -163.94 34.63 Favored Glycine 0 CA--C 1.523 0.591 0 N-CA-C 111.247 -0.741 . . . . 0.0 111.247 -179.813 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 74.5 m-80 -104.94 108.12 19.46 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.89 0.376 . . . . 0.0 111.166 -174.183 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 80' ' ' TYR . . . . . . . . . . . . . 51.2 m-85 -84.32 69.92 10.54 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.088 -0.505 . . . . 0.0 111.264 178.072 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 88.3 m -64.08 133.93 53.96 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.164 -172.53 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 7.8 tt -107.74 140.04 27.53 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.319 -0.401 . . . . 0.0 111.19 177.789 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 83' ' ' MET . . . . . . . . . . . . . 67.1 ttp -131.38 117.06 18.36 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.373 -0.376 . . . . 0.0 111.224 179.872 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -92.39 85.32 5.34 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.343 -0.39 . . . . 0.0 111.106 177.12 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -95.13 131.64 40.93 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.321 -174.017 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 86' ' ' ASN . . . . . 0.627 ' HB2' ' CD ' ' A' ' 87' ' ' PRO . 26.2 p30 -146.6 178.23 1.51 Allowed Pre-proline 0 C--N 1.328 -0.365 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.142 171.93 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 87' ' ' PRO . . . . . 0.627 ' CD ' ' HB2' ' A' ' 86' ' ' ASN . 73.9 Cg_exo -59.01 -25.03 76.22 Favored 'Trans proline' 0 N--CA 1.459 -0.533 0 C-N-CA 121.743 1.629 . . . . 0.0 111.195 -175.073 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 93.6 mm-40 -93.5 -5.05 50.0 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.081 -0.509 . . . . 0.0 111.279 -169.977 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 145.35 -166.86 27.57 Favored Glycine 0 CA--C 1.522 0.505 0 N-CA-C 111.264 -0.735 . . . . 0.0 111.264 -178.22 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 41.2 ptt180 -151.36 159.94 44.02 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-O 120.63 0.252 . . . . 0.0 111.148 179.035 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 11.5 p -147.14 137.04 16.91 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.394 0 CA-C-N 116.305 -0.407 . . . . 0.0 111.279 174.819 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 70.0 m -118.79 151.51 37.91 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.264 -0.425 . . . . 0.0 111.303 -174.152 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 93' ' ' CYS . . . . . . . . . . . . . 53.8 t -150.2 135.53 18.04 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.313 -0.403 . . . . 0.0 111.305 176.087 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 86.3 m -71.17 129.83 39.91 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.306 -175.35 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -102.13 55.62 0.7 Allowed Glycine 0 CA--C 1.524 0.604 0 N-CA-C 111.198 -0.761 . . . . 0.0 111.198 177.792 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 79.6 ttt180 -51.66 114.21 1.2 Allowed 'General case' 0 C--N 1.326 -0.433 0 CA-C-O 120.706 0.288 . . . . 0.0 111.246 -177.511 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 65.2 tp -123.5 110.46 15.1 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.32 -0.4 . . . . 0.0 111.214 171.861 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 98' ' ' MET . . . . . . . . . . . . . 98.8 mmm -97.26 140.86 31.11 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.238 179.991 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 98.9 t -115.26 126.49 72.84 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.294 -0.412 . . . . 0.0 111.312 -176.916 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 63.3 tt0 . . . . . 0 C--N 1.329 -0.287 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.097 179.1 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.457 -0.107 0 CA-C-O 120.709 0.29 . . . . 0.0 111.167 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 33.2 Cg_endo -64.94 136.46 48.72 Favored 'Trans proline' 0 N--CA 1.458 -0.594 0 C-N-CA 121.679 1.586 . . . . 0.0 111.205 -178.185 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 92.1 t80 -150.53 122.11 7.99 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.266 -0.425 . . . . 0.0 111.146 179.48 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 89.7 m-85 -70.88 83.66 0.66 Allowed 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.13 -0.487 . . . . 0.0 111.157 179.349 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 21.6 pt-20 -69.48 -15.92 63.36 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.046 -0.525 . . . . 0.0 111.218 177.25 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 65.6 ttp -138.62 107.2 5.87 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.078 -0.51 . . . . 0.0 111.214 167.336 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 99.2 mttt -92.06 165.59 13.1 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.275 -0.421 . . . . 0.0 111.372 -173.155 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 96.0 mt -81.0 149.6 29.23 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.136 174.139 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 96.5 mttt -107.31 168.59 9.12 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.074 -0.512 . . . . 0.0 111.156 179.994 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 22.9 t-160 -70.77 110.97 5.87 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.127 171.57 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 71.0 m-85 -99.99 143.19 30.49 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.374 -0.376 . . . . 0.0 111.185 -173.454 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 98.7 mttt -122.34 102.09 7.9 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.202 -179.565 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 42.7 mm -121.97 141.39 42.59 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.367 0 CA-C-N 116.099 -0.5 . . . . 0.0 111.218 -172.106 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 43.6 m-85 -73.61 147.05 44.17 Favored 'General case' 0 CA--C 1.519 -0.219 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.289 179.829 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 79.9 tt0 -55.03 120.14 6.48 Favored 'General case' 0 C--N 1.332 -0.155 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.271 -178.94 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 96.54 -12.31 66.34 Favored Glycine 0 CA--C 1.524 0.619 0 N-CA-C 111.127 -0.789 . . . . 0.0 111.127 175.44 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 24.4 ttt -80.05 134.59 55.97 Favored Pre-proline 0 C--N 1.328 -0.359 0 CA-C-O 120.812 0.339 . . . . 0.0 111.341 -178.464 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 60.4 Cg_endo -69.27 148.65 68.71 Favored 'Trans proline' 0 C--N 1.328 -0.51 0 C-N-CA 121.523 1.482 . . . . 0.0 111.213 176.394 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 7.1 p -146.67 134.59 15.22 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.221 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.093 179.325 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 85.7 m -115.77 130.12 56.72 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.214 174.86 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 30.9 p90 -141.19 154.89 46.06 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.081 -0.509 . . . . 0.0 111.107 176.676 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 10.7 t -148.27 155.81 41.78 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.242 -168.253 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 47.4 t -145.0 141.66 29.13 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.311 -0.404 . . . . 0.0 111.144 -176.113 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 58.0 ttt85 -120.01 132.19 55.39 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.08 -172.777 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 98.5 t -120.58 126.28 75.07 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.377 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.302 -175.876 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -87.38 65.12 8.56 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.059 -0.519 . . . . 0.0 111.289 177.606 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -107.11 158.99 14.84 Favored Glycine 0 CA--C 1.523 0.582 0 N-CA-C 111.151 -0.78 . . . . 0.0 111.151 -177.367 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 34' ' ' ASN . . . . . 0.433 ' HA ' ' HA ' ' A' ' 35' ' ' PRO . 54.2 t-20 -154.94 108.19 2.31 Favored Pre-proline 0 CA--C 1.511 -0.554 0 CA-C-O 121.149 0.5 . . . . 0.0 110.977 177.069 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 35' ' ' PRO . . . . . 0.433 ' HA ' ' HA ' ' A' ' 34' ' ' ASN . 24.0 Cg_exo -74.31 166.4 82.76 Favored 'Cis proline' 0 N--CA 1.455 -0.768 0 C-N-CA 121.749 -2.188 . . . . 0.0 111.323 8.443 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 5.0 mptp? -59.14 116.68 16.8 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.068 179.536 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 37' ' ' PRO . . . . . 0.513 ' HA ' ' HB3' ' A' ' 86' ' ' ASN . 77.3 Cg_exo -55.85 147.07 64.0 Favored 'Trans proline' 0 C--N 1.328 -0.526 0 C-N-CA 121.618 1.545 . . . . 0.0 111.218 -176.632 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 98.7 mttt -73.8 69.66 1.37 Allowed 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.383 175.279 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 44.0 mm -43.05 120.75 0.4 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.183 -170.517 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 82.4 m-85 -107.16 140.48 39.95 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.113 176.102 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 41' ' ' TRP . . . . . . . . . . . . . 91.7 m95 -113.86 135.17 54.26 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.061 -0.518 . . . . 0.0 111.219 174.999 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 33.7 p90 -153.24 146.21 24.52 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.088 -0.505 . . . . 0.0 111.242 173.147 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 12.6 tmtt? -110.01 110.0 20.77 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.182 -174.133 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 90.0 m-20 54.72 32.8 18.13 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.246 -0.433 . . . . 0.0 111.091 -176.257 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 95.85 -0.05 62.49 Favored Glycine 0 CA--C 1.525 0.706 0 N-CA-C 111.118 -0.793 . . . . 0.0 111.118 176.936 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 97.0 mttt -95.1 100.92 12.66 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.874 0.368 . . . . 0.0 111.19 -178.797 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 66.4 tt0 -50.92 128.72 21.95 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.25 -178.067 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 95.6 mt -98.45 125.06 51.88 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.381 0 CA-C-N 116.294 -0.412 . . . . 0.0 111.157 -178.452 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 49' ' ' SER . . . . . 0.411 ' HA ' ' HD3' ' A' ' 50' ' ' PRO . 31.1 t -84.15 131.07 52.08 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-N 116.266 -0.425 . . . . 0.0 111.131 174.161 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 50' ' ' PRO . . . . . 0.411 ' HD3' ' HA ' ' A' ' 49' ' ' SER . 54.3 Cg_exo -54.87 136.17 71.08 Favored 'Trans proline' 0 N--CA 1.457 -0.651 0 C-N-CA 121.849 1.699 . . . . 0.0 111.121 178.594 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 97.9 mttt 59.02 57.66 3.45 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-O 120.944 0.402 . . . . 0.0 111.183 178.372 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 14.9 t -94.96 -161.49 0.86 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.294 178.812 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 99.5 m-20 -55.03 -45.49 75.18 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.241 -177.941 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 54' ' ' HIS . . . . . . . . . . . . . 99.5 m-70 -136.73 -5.09 1.97 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.444 179.979 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 55' ' ' TYR . . . . . . . . . . . . . 22.0 m-30 -107.34 95.84 5.99 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.144 -173.007 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 97.1 m -99.12 118.61 36.25 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.164 -178.846 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 97.9 mt -102.88 130.54 52.8 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.313 -0.403 . . . . 0.0 111.185 179.179 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 70.4 tp60 -130.05 109.93 11.23 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.242 174.034 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 83.5 mtm180 -104.47 114.68 29.07 Favored 'General case' 0 C--O 1.235 0.301 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.16 -177.284 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 65.0 t0 -87.13 130.57 34.47 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 116.287 -0.415 . . . . 0.0 111.25 174.372 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 95.1 mt -65.82 -14.4 61.33 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.091 -0.504 . . . . 0.0 111.041 -176.324 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 30.3 t70 -61.17 -32.53 72.26 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.326 -0.397 . . . . 0.0 111.075 176.532 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 132.39 0.32 4.56 Favored Glycine 0 CA--C 1.525 0.696 0 N-CA-C 110.977 -0.849 . . . . 0.0 110.977 177.098 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 97.4 m -107.82 122.82 47.56 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.633 0.254 . . . . 0.0 111.318 177.73 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 65' ' ' CYS . . . . . . . . . . . . . 84.9 m -123.33 140.85 52.59 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.254 178.285 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 95.0 p -124.85 149.28 47.64 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.186 -173.063 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 57.6 tp -127.6 123.98 36.99 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.069 -0.514 . . . . 0.0 111.13 173.401 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 68.6 t60 -108.38 129.92 55.23 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.223 -179.662 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 99.2 m -104.64 114.71 29.1 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.053 -0.521 . . . . 0.0 111.154 172.102 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 82.6 m -67.41 -39.95 85.54 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.202 -175.725 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -137.46 87.32 2.26 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.298 -0.41 . . . . 0.0 111.104 -177.198 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 37.4 t -81.21 93.46 6.49 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.185 -178.14 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 43.8 p -101.08 178.1 4.76 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.127 -179.64 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 97.0 mt -62.29 -25.27 67.77 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.262 -177.763 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 98.6 m-20 -78.49 -19.31 53.3 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.203 175.349 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 68.1 m-20 -94.57 -12.77 26.86 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.206 178.511 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 57.9 t0 -55.42 128.94 36.67 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.227 172.852 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 160.55 -162.9 33.73 Favored Glycine 0 CA--C 1.524 0.598 0 N-CA-C 111.148 -0.781 . . . . 0.0 111.148 179.678 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 74.4 m-20 -107.21 106.32 16.73 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 121.03 0.443 . . . . 0.0 111.105 -173.911 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 80' ' ' TYR . . . . . . . . . . . . . 42.5 m-85 -81.71 70.8 8.68 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.001 -0.545 . . . . 0.0 111.279 177.531 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 87.7 m -65.13 134.72 54.37 Favored 'General case' 0 C--O 1.233 0.237 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.114 -170.654 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 1.4 tt -110.0 138.26 38.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.141 176.172 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 83' ' ' MET . . . . . . . . . . . . . 65.6 ttp -122.0 120.69 35.12 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.293 -176.899 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -91.66 82.52 5.27 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.078 177.153 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -95.06 118.24 31.53 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.291 -0.413 . . . . 0.0 111.197 -177.309 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 86' ' ' ASN . . . . . 0.647 ' HB2' ' CD ' ' A' ' 87' ' ' PRO . 24.8 p-10 -141.27 -179.98 1.1 Allowed Pre-proline 0 C--N 1.327 -0.376 0 CA-C-N 116.009 -0.541 . . . . 0.0 111.01 174.584 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 87' ' ' PRO . . . . . 0.647 ' CD ' ' HB2' ' A' ' 86' ' ' ASN . 75.8 Cg_exo -59.01 -24.9 75.6 Favored 'Trans proline' 0 N--CA 1.457 -0.666 0 C-N-CA 121.615 1.543 . . . . 0.0 111.307 -174.827 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 97.6 mm-40 -92.25 1.88 56.95 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.188 -172.846 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 130.61 -174.97 19.56 Favored Glycine 0 CA--C 1.522 0.519 0 N-CA-C 111.328 -0.709 . . . . 0.0 111.328 178.595 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 40.5 ptt180 -140.88 150.06 42.73 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.715 0.293 . . . . 0.0 111.237 -177.715 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 7.2 p -154.31 139.95 11.01 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.379 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.143 178.908 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 96.6 p -109.26 156.16 20.26 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.29 -0.414 . . . . 0.0 111.272 -172.399 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 93' ' ' CYS . . . . . . . . . . . . . 43.0 t -141.87 139.86 32.74 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.311 172.859 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 88.2 m -80.6 114.41 19.47 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.413 -170.4 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -85.03 65.85 3.97 Favored Glycine 0 CA--C 1.523 0.554 0 N-CA-C 111.301 -0.719 . . . . 0.0 111.301 174.712 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 80.7 ttt180 -64.89 107.94 1.62 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.603 0.239 . . . . 0.0 111.282 -174.004 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 56.5 tp -116.41 109.88 17.92 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.407 -0.36 . . . . 0.0 111.282 174.751 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 98' ' ' MET . . . . . . . . . . . . . 65.4 ttp -101.94 134.11 45.67 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.11 -179.324 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 95.0 t -110.58 129.87 64.93 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.219 0 CA-C-N 116.053 -0.521 . . . . 0.0 111.265 -174.353 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 65.0 tt0 . . . . . 0 C--N 1.33 -0.268 0 CA-C-N 116.085 -0.507 . . . . 0.0 111.265 178.141 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.13 0 CA-C-O 120.8 0.333 . . . . 0.0 111.185 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 33.9 Cg_endo -65.19 136.19 46.6 Favored 'Trans proline' 0 N--CA 1.459 -0.524 0 C-N-CA 121.703 1.602 . . . . 0.0 111.134 -178.167 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 90.3 t80 -151.15 122.59 7.88 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.311 -0.404 . . . . 0.0 111.23 179.996 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 84.6 m-85 -70.49 84.16 0.59 Allowed 'General case' 0 C--N 1.332 -0.185 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.184 179.955 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 21.1 pt-20 -68.63 -15.17 63.44 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.188 176.816 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 66.0 ttp -137.15 102.62 4.88 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.214 166.986 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 98.9 mttt -87.57 168.77 12.76 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.176 -173.196 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 94.9 mt -82.72 150.27 26.81 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.194 176.713 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 97.0 mttt -104.83 166.21 10.54 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.353 -0.385 . . . . 0.0 111.209 176.185 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 19.3 t-160 -66.79 110.23 3.19 Favored 'General case' 0 C--O 1.234 0.268 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.061 172.132 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 60.7 m-85 -100.57 145.8 27.9 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 116.44 -0.345 . . . . 0.0 111.284 -173.98 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 98.9 mttt -135.69 139.3 43.57 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.168 176.687 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 9.5 tp -148.3 152.33 12.56 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-N 116.099 -0.5 . . . . 0.0 111.121 -177.623 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 47.2 m-85 -79.66 145.95 32.73 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.214 172.783 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 87.4 tt0 -55.01 125.07 18.87 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.272 -176.399 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 104.17 -17.79 47.16 Favored Glycine 0 CA--C 1.524 0.618 0 N-CA-C 111.221 -0.752 . . . . 0.0 111.221 172.673 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 97.7 mmm -83.33 152.72 64.96 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 120.686 0.279 . . . . 0.0 111.414 -175.385 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 72.1 Cg_endo -74.91 152.41 41.2 Favored 'Trans proline' 0 C--N 1.327 -0.586 0 C-N-CA 121.796 1.664 . . . . 0.0 111.218 178.61 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 42.1 t -136.05 125.51 39.68 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.116 179.354 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 89.7 m -117.92 126.99 53.41 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.151 178.604 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 29.8 p90 -151.91 155.71 38.64 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.21 175.921 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 10.4 t -149.62 158.18 43.93 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.082 -171.679 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 15.4 t -140.9 144.16 35.07 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.122 -177.119 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 58.2 ttt85 -122.31 133.75 54.67 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.358 -0.383 . . . . 0.0 111.169 -175.121 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 61.0 t -121.89 125.75 73.63 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.309 -173.969 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -88.02 65.4 8.21 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.121 -0.491 . . . . 0.0 111.312 177.296 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -107.45 160.48 14.05 Favored Glycine 0 CA--C 1.521 0.446 0 N-CA-C 111.325 -0.71 . . . . 0.0 111.325 -177.597 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 34' ' ' ASN . . . . . 0.428 ' HA ' ' HA ' ' A' ' 35' ' ' PRO . 54.1 t-20 -154.87 107.43 2.32 Favored Pre-proline 0 CA--C 1.51 -0.56 0 CA-C-O 121.254 0.55 . . . . 0.0 110.982 177.069 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 35' ' ' PRO . . . . . 0.428 ' HA ' ' HA ' ' A' ' 34' ' ' ASN . 24.9 Cg_exo -74.38 166.57 82.37 Favored 'Cis proline' 0 N--CA 1.456 -0.678 0 C-N-CA 121.525 -2.281 . . . . 0.0 111.279 9.064 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 4.8 mptp? -59.39 116.32 15.83 Favored Pre-proline 0 C--N 1.331 -0.224 0 CA-C-N 116.005 -0.543 . . . . 0.0 111.055 179.384 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 37' ' ' PRO . . . . . 0.513 ' HA ' ' HB3' ' A' ' 86' ' ' ASN . 64.1 Cg_exo -57.12 151.21 52.15 Favored 'Trans proline' 0 N--CA 1.459 -0.555 0 C-N-CA 121.785 1.657 . . . . 0.0 111.095 -176.342 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 99.6 mttt -79.43 67.02 5.05 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.093 -0.503 . . . . 0.0 111.415 175.351 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 84.9 mt -42.02 122.45 0.42 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.246 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.128 -171.617 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 80.7 m-85 -109.63 145.34 36.62 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.076 -0.511 . . . . 0.0 111.253 175.944 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 41' ' ' TRP . . . . . . . . . . . . . 94.5 m95 -114.66 139.79 49.36 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.213 173.934 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 35.8 p90 -153.36 145.58 23.86 Favored 'General case' 0 C--N 1.333 -0.128 0 CA-C-N 116.099 -0.5 . . . . 0.0 111.171 170.801 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 12.4 tmtt? -109.93 109.98 20.77 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.064 -0.516 . . . . 0.0 111.101 -174.301 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 93.5 m-20 54.05 33.25 17.22 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.178 -176.08 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 95.58 1.14 62.24 Favored Glycine 0 CA--C 1.527 0.794 0 N-CA-C 111.171 -0.772 . . . . 0.0 111.171 176.662 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 97.0 mttt -94.92 100.72 12.53 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.955 0.407 . . . . 0.0 111.204 -179.277 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 66.3 tt0 -51.64 129.68 26.5 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.241 -177.527 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 96.5 mt -102.09 124.62 56.08 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.229 0 CA-C-N 116.097 -0.501 . . . . 0.0 111.256 -179.141 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 49' ' ' SER . . . . . 0.422 ' HA ' ' HD3' ' A' ' 50' ' ' PRO . 30.0 t -90.43 137.24 27.56 Favored Pre-proline 0 C--N 1.327 -0.4 0 CA-C-N 116.49 -0.323 . . . . 0.0 111.246 174.465 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 50' ' ' PRO . . . . . 0.422 ' HD3' ' HA ' ' A' ' 49' ' ' SER . 53.3 Cg_exo -54.59 138.5 75.22 Favored 'Trans proline' 0 N--CA 1.456 -0.724 0 C-N-CA 121.802 1.668 . . . . 0.0 111.24 178.152 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 98.1 mttt 57.91 56.91 4.42 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.319 -0.4 . . . . 0.0 111.346 177.503 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 14.7 t -94.97 -162.39 0.94 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.084 -0.507 . . . . 0.0 111.257 178.879 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 99.5 m-20 -55.34 -45.73 76.4 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.222 -177.784 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 54' ' ' HIS . . . . . . . . . . . . . 99.3 m-70 -136.3 -5.03 2.08 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.072 -0.513 . . . . 0.0 111.286 179.571 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 55' ' ' TYR . . . . . . . . . . . . . 22.2 m-30 -108.05 96.24 6.23 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.157 -173.283 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 97.4 m -99.84 125.54 45.81 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.177 -179.299 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 95.9 mt -110.39 122.32 64.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.317 -179.026 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 99.4 mm-40 -102.39 132.42 48.41 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.186 172.77 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 99.8 mtt180 -115.26 108.11 16.15 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.296 -174.463 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 66.8 t0 -94.29 120.75 34.98 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.15 172.141 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 95.3 mt -67.36 -12.17 59.51 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.175 -172.373 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 22.3 t70 -65.32 -22.44 66.83 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.43 -0.35 . . . . 0.0 111.016 177.689 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 123.85 17.27 3.14 Favored Glycine 0 CA--C 1.524 0.653 0 N-CA-C 111.048 -0.821 . . . . 0.0 111.048 178.484 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 88.2 m -118.11 139.54 51.1 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-O 120.736 0.303 . . . . 0.0 111.311 177.171 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 65' ' ' CYS . . . . . . . . . . . . . 13.6 t -137.18 138.06 39.83 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.974 176.685 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 37.4 t -121.38 136.96 54.9 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.112 -0.494 . . . . 0.0 111.169 -174.364 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 62.3 tp -116.95 120.15 37.54 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.237 177.838 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 81.6 t60 -111.88 126.23 54.88 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.295 -0.412 . . . . 0.0 111.187 -178.644 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 98.4 m -98.13 117.49 32.62 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.013 172.008 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 82.4 m -63.37 -44.82 93.7 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.33 -176.127 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -143.61 87.83 1.96 Allowed 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.081 -0.509 . . . . 0.0 111.123 -176.856 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 48.4 t -75.68 107.5 7.88 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.191 -176.472 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 56.3 p -106.09 179.83 4.15 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.293 179.18 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 97.5 mt -61.6 -26.4 67.96 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.289 -178.264 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 99.7 m-20 -77.7 -20.24 53.91 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.175 175.432 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 69.9 m-20 -91.62 -11.12 38.02 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.022 -0.535 . . . . 0.0 111.161 177.988 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 57.4 t0 -59.7 126.44 27.61 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.246 172.966 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 161.13 -164.24 34.76 Favored Glycine 0 CA--C 1.525 0.657 0 N-CA-C 111.194 -0.762 . . . . 0.0 111.194 -179.041 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 74.2 m-20 -105.35 109.06 20.89 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.746 0.308 . . . . 0.0 111.162 -174.206 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 80' ' ' TYR . . . . . . . . . . . . . 61.9 m-85 -82.96 70.06 9.89 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.387 177.644 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 86.3 m -65.1 134.64 54.22 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.12 -171.989 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 1.7 tt -110.06 140.0 30.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.217 176.911 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 83' ' ' MET . . . . . . . . . . . . . 66.4 ttp -124.55 120.32 31.63 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.238 -178.601 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -92.32 84.46 5.18 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.077 177.514 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -95.08 119.51 33.71 Favored 'General case' 0 C--O 1.233 0.205 0 CA-C-N 116.092 -0.504 . . . . 0.0 111.275 -176.194 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 86' ' ' ASN . . . . . 0.642 ' HB2' ' CD ' ' A' ' 87' ' ' PRO . 24.8 p-10 -141.03 179.99 1.12 Allowed Pre-proline 0 C--N 1.329 -0.313 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.191 174.43 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 87' ' ' PRO . . . . . 0.642 ' CD ' ' HB2' ' A' ' 86' ' ' ASN . 77.7 Cg_exo -59.01 -25.04 76.26 Favored 'Trans proline' 0 N--CA 1.456 -0.709 0 C-N-CA 121.7 1.6 . . . . 0.0 111.272 -175.104 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 96.8 mm-40 -93.26 4.09 54.56 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.075 -0.511 . . . . 0.0 111.25 -172.52 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 128.97 -173.27 19.43 Favored Glycine 0 CA--C 1.522 0.528 0 N-CA-C 111.237 -0.745 . . . . 0.0 111.237 178.477 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 41.0 ptt180 -142.4 152.65 43.04 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-O 120.596 0.236 . . . . 0.0 111.283 -178.178 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 7.2 p -153.4 139.07 11.52 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.181 179.16 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 98.5 p -108.22 159.8 16.33 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.257 -173.096 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 93' ' ' CYS . . . . . . . . . . . . . 50.3 t -148.99 135.55 19.52 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.305 173.3 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 88.3 m -72.76 129.97 39.41 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.325 -0.398 . . . . 0.0 111.286 -172.291 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -103.59 55.3 0.64 Allowed Glycine 0 CA--C 1.524 0.65 0 N-CA-C 111.086 -0.806 . . . . 0.0 111.086 176.934 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 79.8 ttt180 -54.05 115.8 2.23 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 120.648 0.261 . . . . 0.0 111.305 -175.539 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 55.1 tp -125.43 112.22 16.02 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.333 -0.394 . . . . 0.0 111.118 171.082 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 98' ' ' MET . . . . . . . . . . . . . 98.8 mmm -97.34 141.65 30.18 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.248 179.718 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 64.8 t -117.91 124.95 73.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.182 -177.484 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 64.0 tt0 . . . . . 0 C--N 1.33 -0.277 0 CA-C-O 121.093 0.473 . . . . 0.0 111.172 177.462 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.456 -0.162 0 CA-C-O 120.799 0.333 . . . . 0.0 111.137 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_exo -54.97 132.73 53.96 Favored 'Trans proline' 0 N--CA 1.458 -0.595 0 C-N-CA 121.65 1.567 . . . . 0.0 111.363 178.833 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 90.2 t80 -154.16 121.44 5.73 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 120.954 0.407 . . . . 0.0 111.253 177.19 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 76.1 m-85 -69.74 87.36 0.51 Allowed 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.156 -179.976 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 16.8 pt-20 -64.82 -20.14 66.23 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.059 -0.519 . . . . 0.0 111.302 175.185 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 67.5 ttp -137.93 113.02 9.18 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 115.903 -0.59 . . . . 0.0 111.01 170.227 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 99.0 mttt -98.29 166.22 11.49 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.267 -170.196 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 94.2 mt -82.64 170.35 15.23 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.319 -0.401 . . . . 0.0 111.208 176.605 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 63.9 pttt -134.84 179.91 6.01 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.311 177.258 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 19.9 t-160 -71.96 111.34 7.13 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.09 176.206 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 77.4 m-85 -100.33 146.25 27.18 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.279 -177.184 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 99.1 mttt -133.9 138.8 45.77 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.209 178.035 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 9.9 tp -150.6 151.9 12.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.094 -178.953 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 54.2 m-85 -82.03 141.59 33.08 Favored 'General case' 0 CA--C 1.521 -0.154 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.328 172.135 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 21' ' ' GLU . . . . . 0.424 ' HG3' ' O ' ' A' ' 21' ' ' GLU . 14.5 pt-20 -53.48 125.03 16.54 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.38 -176.755 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 106.71 -16.99 39.75 Favored Glycine 0 CA--C 1.526 0.738 0 N-CA-C 111.118 -0.793 . . . . 0.0 111.118 173.711 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 98.0 mmm -86.47 153.62 56.1 Favored Pre-proline 0 C--N 1.327 -0.385 0 CA-C-O 120.823 0.344 . . . . 0.0 111.234 -176.741 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 73.1 Cg_endo -74.82 152.4 41.7 Favored 'Trans proline' 0 N--CA 1.457 -0.658 0 C-N-CA 121.71 1.606 . . . . 0.0 111.18 179.038 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 59.5 t -134.93 128.88 50.54 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.165 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.066 178.999 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 88.4 m -127.79 128.24 44.96 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.138 179.676 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 35.4 p90 -155.74 165.39 36.65 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.12 172.178 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 10.5 t -148.97 160.71 43.05 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.334 -170.318 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 35.5 t -147.37 141.97 26.59 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.433 -0.349 . . . . 0.0 111.163 -177.35 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 43.2 ttm180 -121.47 138.37 54.32 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.354 -0.385 . . . . 0.0 111.11 -171.202 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 87.4 t -124.96 125.1 69.05 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.082 -0.508 . . . . 0.0 111.331 -174.261 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -86.7 64.65 8.62 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.269 177.872 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -107.52 155.2 16.39 Favored Glycine 0 CA--C 1.521 0.466 0 N-CA-C 111.265 -0.734 . . . . 0.0 111.265 179.049 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 34' ' ' ASN . . . . . 0.443 ' HA ' ' HA ' ' A' ' 35' ' ' PRO . 54.1 t-20 -156.12 109.49 2.09 Favored Pre-proline 0 CA--C 1.511 -0.551 0 CA-C-O 121.183 0.516 . . . . 0.0 110.956 179.551 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 35' ' ' PRO . . . . . 0.443 ' HA ' ' HA ' ' A' ' 34' ' ' ASN . 58.1 Cg_endo -74.67 169.31 74.63 Favored 'Cis proline' 0 N--CA 1.457 -0.642 0 C-N-CA 121.58 -2.258 . . . . 0.0 111.205 5.127 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 36' ' ' LYS . . . . . 0.424 ' HA ' ' HD3' ' A' ' 37' ' ' PRO . 63.3 tttm -52.28 122.87 26.22 Favored Pre-proline 0 C--N 1.33 -0.257 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.067 178.906 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 37' ' ' PRO . . . . . 0.424 ' HD3' ' HA ' ' A' ' 36' ' ' LYS . 31.7 Cg_exo -61.16 162.31 20.14 Favored 'Trans proline' 0 N--CA 1.457 -0.652 0 C-N-CA 121.627 1.552 . . . . 0.0 111.262 177.951 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 99.4 mttt -78.03 69.57 4.27 Favored 'General case' 0 N--CA 1.454 -0.247 0 CA-C-O 120.916 0.388 . . . . 0.0 111.486 174.905 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 76.8 mt -70.41 135.2 28.64 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.196 0 CA-C-N 116.044 -0.526 . . . . 0.0 111.085 -171.483 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 40.3 p90 -146.82 165.72 28.84 Favored 'General case' 0 N--CA 1.456 -0.159 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.207 177.946 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 41' ' ' TRP . . . . . . . . . . . . . 70.7 m95 -113.76 150.03 34.01 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-O 121.086 0.469 . . . . 0.0 111.169 -179.226 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 39.0 p90 -152.05 145.81 25.06 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.017 -0.538 . . . . 0.0 111.313 170.064 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 12.7 tmtt? -110.16 109.87 20.53 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.233 -174.813 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 92.0 m-20 53.27 33.6 15.87 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.094 -176.615 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 97.11 -0.75 60.5 Favored Glycine 0 CA--C 1.524 0.636 0 N-CA-C 111.137 -0.785 . . . . 0.0 111.137 176.331 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 97.0 mttt -96.33 100.13 11.77 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.81 0.338 . . . . 0.0 111.06 -178.718 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 66.0 tt0 -52.34 129.87 29.52 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.318 -0.401 . . . . 0.0 111.172 -177.399 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 91.7 mt -99.32 125.27 52.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.185 -177.582 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 30.0 t -86.43 132.79 41.84 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-N 116.357 -0.383 . . . . 0.0 111.289 173.872 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 57.7 Cg_exo -55.03 140.39 80.09 Favored 'Trans proline' 0 N--CA 1.459 -0.556 0 C-N-CA 121.649 1.566 . . . . 0.0 111.191 179.324 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 98.1 mttt 57.72 57.26 4.33 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.287 177.903 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 12.2 t -94.96 -160.85 0.81 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.091 -0.504 . . . . 0.0 111.228 179.201 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 99.5 m-20 -56.43 -46.18 80.41 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.313 -0.403 . . . . 0.0 111.232 -178.152 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 54' ' ' HIS . . . . . . . . . . . . . 99.5 m-70 -136.11 -5.12 2.13 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.313 178.721 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 55' ' ' TYR . . . . . . . . . . . . . 22.1 m-30 -106.76 96.35 6.38 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.983 0.42 . . . . 0.0 111.15 -173.168 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 97.5 m -99.97 123.52 44.31 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.067 -0.515 . . . . 0.0 111.096 -179.196 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 94.6 mt -109.31 121.2 61.97 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.173 179.98 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 99.0 mm-40 -100.94 129.58 46.81 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.298 -0.41 . . . . 0.0 111.226 172.857 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 99.3 mtt180 -115.54 101.97 9.36 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.167 -175.685 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 67.6 t0 -86.77 120.66 28.3 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.365 -0.379 . . . . 0.0 111.157 174.536 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 95.2 mt -68.55 -9.84 51.94 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.029 -0.532 . . . . 0.0 111.187 -171.372 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 96.0 m-20 -65.03 -21.1 66.78 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.339 -0.392 . . . . 0.0 110.971 175.141 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 122.05 21.31 2.89 Favored Glycine 0 CA--C 1.524 0.623 0 N-CA-C 111.057 -0.817 . . . . 0.0 111.057 179.435 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 61.9 m -122.21 137.3 54.88 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 120.89 0.376 . . . . 0.0 111.194 -177.26 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 65' ' ' CYS . . . . . . . . . . . . . 97.3 m -130.01 136.31 49.25 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 116.055 -0.52 . . . . 0.0 111.088 177.824 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 37.4 t -124.56 137.31 54.41 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.017 -0.538 . . . . 0.0 111.122 -176.866 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 68.1 tp -117.22 122.08 42.99 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.164 179.711 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 79.1 t60 -115.34 124.41 51.18 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.297 -0.411 . . . . 0.0 111.351 178.756 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 94.8 m -99.45 119.66 38.35 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.05 172.07 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 82.3 m -61.95 -46.78 87.8 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.071 -0.513 . . . . 0.0 111.345 -176.337 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -144.63 88.36 1.91 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.016 -0.538 . . . . 0.0 111.107 -177.022 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 43.7 t -76.76 106.8 8.65 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.118 -177.225 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 50.6 p -104.51 179.3 4.31 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.245 -179.26 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 98.3 mt -61.26 -26.1 67.53 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 115.985 -0.552 . . . . 0.0 111.316 -178.295 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 98.8 m-20 -79.47 -17.59 53.87 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.069 -0.514 . . . . 0.0 111.071 177.049 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 68.7 m-20 -92.13 -12.01 34.09 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.273 179.072 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 56.5 t0 -55.26 128.14 32.66 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.324 175.306 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 162.24 -165.15 35.87 Favored Glycine 0 CA--C 1.523 0.582 0 N-CA-C 111.242 -0.743 . . . . 0.0 111.242 179.777 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 73.9 m-80 -105.6 108.39 19.88 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.887 0.375 . . . . 0.0 111.16 -174.281 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 80' ' ' TYR . . . . . . . . . . . . . 69.0 m-85 -85.0 70.06 10.88 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.18 178.439 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 88.7 m -68.9 135.04 50.42 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.093 -172.019 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 3.0 tt -107.51 138.77 32.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.146 175.467 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 83' ' ' MET . . . . . . . . . . . . . 59.0 ttm -125.68 129.63 49.94 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.328 -0.396 . . . . 0.0 111.364 179.377 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -98.49 65.33 1.62 Allowed 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.199 176.202 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -77.88 136.27 38.02 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.307 -175.118 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 86' ' ' ASN . . . . . 0.583 ' HB2' ' CD ' ' A' ' 87' ' ' PRO . 35.4 p30 -155.04 175.47 3.1 Favored Pre-proline 0 C--N 1.328 -0.327 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.116 171.273 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 87' ' ' PRO . . . . . 0.583 ' CD ' ' HB2' ' A' ' 86' ' ' ASN . 77.8 Cg_exo -58.02 -25.13 69.09 Favored 'Trans proline' 0 N--CA 1.455 -0.741 0 C-N-CA 121.769 1.646 . . . . 0.0 111.338 -175.725 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 96.6 mm-40 -91.01 -5.1 55.82 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.073 -0.512 . . . . 0.0 111.24 -172.974 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 142.56 177.87 18.0 Favored Glycine 0 CA--C 1.523 0.585 0 N-CA-C 111.283 -0.727 . . . . 0.0 111.283 -179.569 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 40.5 ptt180 -144.54 153.79 42.2 Favored 'General case' 0 C--O 1.234 0.286 0 CA-C-O 120.631 0.253 . . . . 0.0 111.143 -177.555 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 9.2 p -153.72 137.49 8.51 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.401 0 CA-C-N 116.314 -0.403 . . . . 0.0 111.07 177.67 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 98.7 p -111.94 155.37 23.82 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.265 -175.461 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 93' ' ' CYS . . . . . . . . . . . . . 52.8 t -143.17 127.35 17.56 Favored 'General case' 0 C--O 1.236 0.375 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.292 173.504 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 90.3 m -68.97 128.44 36.71 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.408 -0.36 . . . . 0.0 111.315 -171.667 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -101.4 55.39 0.76 Allowed Glycine 0 CA--C 1.523 0.552 0 N-CA-C 111.239 -0.744 . . . . 0.0 111.239 176.412 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 79.5 ttt180 -52.1 114.8 1.43 Allowed 'General case' 0 C--N 1.327 -0.408 0 CA-C-O 120.866 0.365 . . . . 0.0 111.205 -177.222 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 61.4 tp -123.73 109.51 13.78 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.253 171.508 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 98' ' ' MET . . . . . . . . . . . . . 98.9 mmm -97.49 140.04 32.51 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.289 -0.414 . . . . 0.0 111.15 179.731 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 59.2 t -116.91 130.02 72.5 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-N 116.123 -0.489 . . . . 0.0 111.102 -175.607 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 99.5 mm-40 . . . . . 0 C--N 1.328 -0.343 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.222 179.365 . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.454 -0.261 0 CA-C-O 120.569 0.223 . . . . 0.0 111.278 . . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 28.6 Cg_endo -62.01 144.52 96.32 Favored 'Trans proline' 0 N--CA 1.455 -0.747 0 C-N-CA 121.678 1.586 . . . . 0.0 111.29 -179.968 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 84.4 t80 -159.99 140.18 11.68 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 120.871 0.367 . . . . 0.0 111.226 -175.209 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 79.0 m-85 -89.75 99.02 12.11 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.123 177.951 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 88.0 tt0 -57.12 -39.54 75.32 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.043 -0.526 . . . . 0.0 111.299 172.775 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 66.4 ttp -130.27 120.62 24.69 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.048 -0.523 . . . . 0.0 111.124 174.2 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 98.8 mttt -99.55 164.62 12.0 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.263 -171.851 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 96.0 mt -81.67 154.39 26.12 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.309 -179.768 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 97.4 mttt -114.97 -180.0 3.79 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.202 175.892 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 21.0 t-160 -75.03 111.67 10.49 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.119 173.586 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 68.5 m-85 -103.03 147.54 26.83 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.322 -0.399 . . . . 0.0 111.22 -174.529 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 98.9 mttt -135.48 139.91 44.41 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.286 177.307 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 10.4 tp -150.13 147.33 16.18 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.08 -179.391 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 38.5 m-85 -74.93 145.07 42.93 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.235 178.558 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 87.5 tt0 -54.71 122.16 10.08 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.15 -177.564 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 98.19 -13.1 63.49 Favored Glycine 0 CA--C 1.523 0.561 0 N-CA-C 111.261 -0.736 . . . . 0.0 111.261 173.267 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 97.8 mmm -88.23 152.47 50.32 Favored Pre-proline 0 C--N 1.33 -0.27 0 CA-C-O 120.844 0.354 . . . . 0.0 111.292 -176.164 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 74.3 Cg_endo -74.31 150.49 41.86 Favored 'Trans proline' 0 N--CA 1.457 -0.626 0 C-N-CA 121.769 1.646 . . . . 0.0 111.31 177.344 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 8.3 p -149.32 134.82 11.18 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.38 0 CA-C-N 116.275 -0.421 . . . . 0.0 111.135 176.618 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 85.2 m -120.86 134.46 55.29 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.087 -179.37 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 34.4 p90 -150.17 154.67 38.41 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.193 173.799 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 11.9 t -146.24 160.01 42.56 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.343 -166.9 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 29' ' ' CYS . . . . . 0.425 ' SG ' HD13 ' A' ' 82' ' ' ILE . 49.8 t -148.28 150.47 33.71 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.342 -0.39 . . . . 0.0 111.175 -178.701 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 59.1 ttt85 -125.42 132.08 52.8 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.286 -0.415 . . . . 0.0 111.121 -172.721 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 35.9 m -109.72 155.15 10.99 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.242 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.242 176.557 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -145.12 76.81 1.5 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.069 -0.514 . . . . 0.0 111.298 179.68 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -120.76 -167.3 13.3 Favored Glycine 0 CA--C 1.522 0.504 0 N-CA-C 111.344 -0.703 . . . . 0.0 111.344 177.765 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 34' ' ' ASN . . . . . 0.496 ' HA ' ' HA ' ' A' ' 35' ' ' PRO . 54.1 t-20 -155.18 106.12 2.25 Favored Pre-proline 0 CA--C 1.511 -0.555 0 CA-C-O 121.194 0.521 . . . . 0.0 110.942 179.142 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 35' ' ' PRO . . . . . 0.496 ' HA ' ' HA ' ' A' ' 34' ' ' ASN . 26.2 Cg_exo -69.65 156.37 92.53 Favored 'Cis proline' 0 N--CA 1.457 -0.656 0 C-N-CA 121.405 -2.331 . . . . 0.0 111.377 3.838 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 36' ' ' LYS . . . . . 0.407 ' HA ' ' HD3' ' A' ' 37' ' ' PRO . 98.9 mttt -55.76 125.21 60.9 Favored Pre-proline 0 C--N 1.33 -0.279 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.146 178.385 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 37' ' ' PRO . . . . . 0.635 ' HA ' ' HB3' ' A' ' 86' ' ' ASN . 77.7 Cg_exo -56.56 144.91 83.38 Favored 'Trans proline' 0 N--CA 1.457 -0.638 0 C-N-CA 121.783 1.656 . . . . 0.0 111.188 -176.272 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 98.7 mttt -88.76 100.03 12.82 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.29 173.872 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 86.2 mt -64.28 117.14 4.47 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.328 -0.396 . . . . 0.0 111.027 -171.899 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 82.5 m-85 -111.73 148.29 33.8 Favored 'General case' 0 C--O 1.234 0.242 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.23 172.738 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 41' ' ' TRP . . . . . . . . . . . . . 91.4 m95 -116.1 140.18 49.54 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.187 179.006 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 46.5 p90 -152.52 147.54 26.33 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.255 169.603 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 11.2 tmtt? -110.01 108.56 18.84 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.188 -173.382 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 60.4 m-20 45.49 42.66 8.11 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.301 -0.409 . . . . 0.0 111.134 -176.795 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 98.18 -2.88 59.77 Favored Glycine 0 CA--C 1.523 0.584 0 N-CA-C 111.189 -0.764 . . . . 0.0 111.189 173.333 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 96.0 mttt -98.56 97.83 9.08 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.811 0.339 . . . . 0.0 111.239 -177.301 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 66.4 tt0 -51.3 129.72 25.36 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.318 -179.116 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 94.2 mt -100.73 124.11 54.12 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.284 -0.417 . . . . 0.0 111.197 -178.084 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 49' ' ' SER . . . . . 0.408 ' HA ' ' HD3' ' A' ' 50' ' ' PRO . 29.5 t -92.05 135.89 26.64 Favored Pre-proline 0 C--N 1.328 -0.346 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.198 175.735 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 50' ' ' PRO . . . . . 0.408 ' HD3' ' HA ' ' A' ' 49' ' ' SER . 50.7 Cg_exo -54.95 143.56 71.93 Favored 'Trans proline' 0 N--CA 1.456 -0.701 0 C-N-CA 121.739 1.626 . . . . 0.0 111.173 176.813 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 98.2 mttt 57.57 53.02 7.7 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.175 176.757 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 13.9 t -94.9 -162.0 0.91 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.101 -0.5 . . . . 0.0 111.159 178.552 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 99.4 m-20 -55.78 -46.95 77.83 Favored 'General case' 0 N--CA 1.454 -0.257 0 CA-C-O 121.039 0.447 . . . . 0.0 111.326 -177.999 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 54' ' ' HIS . . . . . . . . . . . . . 99.2 m-70 -136.15 -5.02 2.12 Favored 'General case' 0 C--O 1.234 0.285 0 CA-C-N 115.993 -0.549 . . . . 0.0 111.255 179.39 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 55' ' ' TYR . . . . . . . . . . . . . 22.3 m-30 -105.19 105.23 15.17 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.073 -173.278 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 98.5 m -106.53 124.62 49.88 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.165 179.028 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 95.7 mt -111.01 122.05 64.79 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 CA-C-N 116.356 -0.384 . . . . 0.0 111.198 179.472 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 97.2 mm-40 -115.16 105.0 12.41 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.081 -0.509 . . . . 0.0 111.273 174.617 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 40.4 ttm105 -100.89 100.02 10.6 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.115 -175.375 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 65.8 t0 -73.64 130.76 40.69 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.06 -0.518 . . . . 0.0 111.206 173.496 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 95.0 mt -66.79 -14.61 62.82 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.189 -174.26 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 22.0 t70 -63.53 -28.02 69.66 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.424 -0.353 . . . . 0.0 111.167 178.105 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 133.33 -4.59 4.87 Favored Glycine 0 CA--C 1.525 0.671 0 N-CA-C 111.109 -0.796 . . . . 0.0 111.109 175.869 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 98.8 m -101.46 134.59 44.32 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.862 0.363 . . . . 0.0 111.27 178.034 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 65' ' ' CYS . . . . . . . . . . . . . 48.6 t -134.8 132.44 38.69 Favored 'General case' 0 C--O 1.235 0.303 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.166 175.848 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 29.5 t -108.63 140.03 42.57 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.341 -0.39 . . . . 0.0 111.276 -177.615 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 64.9 tp -113.46 119.53 37.9 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.996 -0.547 . . . . 0.0 111.117 172.101 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 70.4 t60 -110.62 129.95 55.69 Favored 'General case' 0 C--N 1.332 -0.165 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.155 179.819 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 94.8 m -105.91 118.57 36.95 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.078 -0.51 . . . . 0.0 111.117 172.121 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 80.5 m -65.74 -43.6 88.51 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.229 -175.56 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -142.82 85.93 1.91 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.068 -0.514 . . . . 0.0 111.138 -176.677 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 48.1 t -78.38 107.35 10.95 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.176 -177.269 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 54.0 p -105.61 178.34 4.59 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.066 -0.515 . . . . 0.0 111.129 -179.809 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 95.5 mt -61.79 -25.59 67.58 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.216 -178.413 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 98.7 m-20 -76.44 -20.25 57.25 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.171 174.56 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 67.8 m-20 -92.16 -17.06 25.43 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.245 177.675 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 57.6 t0 -54.73 130.18 39.66 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.379 -0.373 . . . . 0.0 111.201 175.269 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 160.58 -148.84 17.55 Favored Glycine 0 CA--C 1.523 0.56 0 N-CA-C 111.139 -0.784 . . . . 0.0 111.139 179.174 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 44.4 m-80 -119.99 105.37 10.98 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.961 0.41 . . . . 0.0 111.145 -171.041 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 80' ' ' TYR . . . . . . . . . . . . . 32.0 m-85 -84.87 70.47 10.87 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.076 -0.511 . . . . 0.0 111.213 -179.301 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 87.0 m -63.02 133.67 54.93 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.168 -171.792 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 82' ' ' ILE . . . . . 0.425 HD13 ' SG ' ' A' ' 29' ' ' CYS . 6.0 tt -104.59 140.09 23.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.31 -0.405 . . . . 0.0 111.146 177.287 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 83' ' ' MET . . . . . . . . . . . . . 63.6 tpp -119.44 119.91 35.3 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.38 -0.373 . . . . 0.0 111.35 -177.44 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -88.45 71.89 8.93 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.031 174.717 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -83.16 125.07 31.13 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.273 -176.026 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 86' ' ' ASN . . . . . 0.635 ' HB3' ' HA ' ' A' ' 37' ' ' PRO . 27.3 p-10 -147.62 177.94 1.61 Allowed Pre-proline 0 C--N 1.329 -0.313 0 CA-C-N 116.049 -0.523 . . . . 0.0 111.102 173.324 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 87' ' ' PRO . . . . . 0.608 ' CD ' ' HB2' ' A' ' 86' ' ' ASN . 70.7 Cg_exo -59.17 -24.93 76.13 Favored 'Trans proline' 0 N--CA 1.457 -0.642 0 C-N-CA 121.571 1.514 . . . . 0.0 111.263 -175.136 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 96.9 mm-40 -94.49 1.96 55.72 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.068 -171.153 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 137.37 -162.14 25.36 Favored Glycine 0 CA--C 1.523 0.559 0 N-CA-C 111.319 -0.712 . . . . 0.0 111.319 179.362 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 40.8 ptt180 -152.36 145.59 24.68 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.71 0.291 . . . . 0.0 111.172 178.356 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 60.6 t -134.24 130.17 54.18 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.185 177.206 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 90.7 p -95.3 157.31 15.95 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.293 -179.429 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 93' ' ' CYS . . . . . . . . . . . . . 51.8 t -150.73 129.99 12.79 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.169 170.831 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 89.2 m -66.83 127.5 32.71 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.247 -172.828 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -100.03 57.02 0.82 Allowed Glycine 0 CA--C 1.524 0.613 0 N-CA-C 111.165 -0.774 . . . . 0.0 111.165 175.772 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 80.1 ttt180 -52.95 113.45 1.1 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.763 0.316 . . . . 0.0 111.304 -176.231 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 63.8 tp -123.83 110.22 14.6 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.102 172.343 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 98' ' ' MET . . . . . . . . . . . . . 98.8 mmm -97.17 144.3 27.14 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.251 179.904 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 96.5 t -114.44 130.2 69.16 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.385 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.22 -177.167 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 96.5 mm-40 . . . . . 0 C--N 1.33 -0.273 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.118 -174.758 . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.457 -0.108 0 CA-C-O 120.811 0.339 . . . . 0.0 111.273 . . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 57.7 Cg_exo -55.0 135.8 70.24 Favored 'Trans proline' 0 N--CA 1.458 -0.61 0 C-N-CA 121.768 1.645 . . . . 0.0 111.209 179.535 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 90.0 t80 -154.27 123.87 6.62 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.37 -0.377 . . . . 0.0 111.192 178.469 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 72.1 m-85 -70.1 86.19 0.55 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.099 179.899 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 15.7 pt-20 -65.0 -21.33 66.83 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.269 172.112 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 67.1 ttp -133.34 113.52 12.67 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.086 -0.507 . . . . 0.0 111.118 168.287 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 99.0 mttt -96.75 165.89 11.91 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.259 -170.613 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 96.2 mt -83.39 171.89 13.03 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.14 177.183 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 64.1 pttt -134.9 178.85 6.7 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.176 175.336 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 18.0 t-160 -72.33 108.21 5.33 Favored 'General case' 0 C--O 1.234 0.245 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.123 174.618 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 85.7 m-85 -95.26 143.98 26.21 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.487 -0.324 . . . . 0.0 111.285 -175.79 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 98.9 mttt -134.77 139.28 45.02 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.103 -0.499 . . . . 0.0 111.098 177.459 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 10.4 tp -149.0 150.46 13.97 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.101 -0.5 . . . . 0.0 111.157 -178.364 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 38.3 m-85 -79.0 145.06 34.13 Favored 'General case' 0 C--O 1.232 0.161 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.295 173.582 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 86.9 tt0 -55.09 124.92 18.42 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.312 -0.404 . . . . 0.0 111.075 -177.159 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 102.45 -16.36 55.15 Favored Glycine 0 CA--C 1.524 0.599 0 N-CA-C 111.199 -0.76 . . . . 0.0 111.199 173.378 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 98.1 mmm -85.03 153.99 60.35 Favored Pre-proline 0 C--N 1.328 -0.354 0 CA-C-O 120.712 0.292 . . . . 0.0 111.352 -176.184 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 72.3 Cg_endo -75.42 154.2 40.37 Favored 'Trans proline' 0 C--N 1.326 -0.617 0 C-N-CA 121.752 1.635 . . . . 0.0 111.265 179.495 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 59.3 t -133.19 124.96 50.45 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-N 116.324 -0.398 . . . . 0.0 111.206 178.045 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 91.4 m -127.63 123.42 35.57 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.094 -179.069 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 52.0 p90 -157.84 164.98 36.42 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.071 -0.513 . . . . 0.0 111.202 172.581 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 12.5 t -145.89 161.26 40.42 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.237 -171.233 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 11.5 t -139.45 148.89 43.36 Favored 'General case' 0 C--O 1.234 0.264 0 CA-C-N 116.354 -0.384 . . . . 0.0 111.312 179.99 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 78.3 ttt180 -132.96 138.92 47.06 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-O 120.843 0.354 . . . . 0.0 111.219 -174.218 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 30.8 m -124.7 148.81 28.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.092 -0.503 . . . . 0.0 111.177 -179.881 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -99.15 65.02 1.41 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.25 174.797 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -104.61 160.49 15.56 Favored Glycine 0 CA--C 1.522 0.531 0 N-CA-C 111.201 -0.76 . . . . 0.0 111.201 -174.941 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 34' ' ' ASN . . . . . 0.445 ' HA ' ' C ' ' A' ' 35' ' ' PRO . 54.2 t-20 -156.23 107.05 2.06 Favored Pre-proline 0 CA--C 1.511 -0.545 0 CA-C-O 121.131 0.491 . . . . 0.0 110.937 177.719 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 35' ' ' PRO . . . . . 0.445 ' C ' ' HA ' ' A' ' 34' ' ' ASN . 24.5 Cg_exo -74.49 165.55 85.2 Favored 'Cis proline' 0 N--CA 1.457 -0.639 0 C-N-CA 121.539 -2.275 . . . . 0.0 111.28 9.306 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 36' ' ' LYS . . . . . 0.461 ' HD2' ' N ' ' A' ' 36' ' ' LYS . 4.2 mptp? -59.91 115.45 12.99 Favored Pre-proline 0 C--N 1.328 -0.358 0 CA-C-N 116.045 -0.525 . . . . 0.0 111.057 -179.065 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 37' ' ' PRO . . . . . 0.483 ' HA ' ' HB3' ' A' ' 86' ' ' ASN . 52.7 Cg_exo -57.13 145.39 86.66 Favored 'Trans proline' 0 N--CA 1.46 -0.478 0 C-N-CA 121.559 1.506 . . . . 0.0 111.262 -177.945 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 99.7 mttt -80.83 69.7 7.44 Favored 'General case' 0 N--CA 1.455 -0.194 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.536 176.223 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 88.1 mt -42.6 122.18 0.45 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.085 -0.507 . . . . 0.0 111.202 -172.86 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 75.3 m-85 -109.64 150.01 28.87 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.124 174.705 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 41' ' ' TRP . . . . . . . . . . . . . 92.2 m95 -115.86 141.67 47.79 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.089 -0.505 . . . . 0.0 111.12 173.111 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 42' ' ' PHE . . . . . 0.401 ' HB3' ' HA ' ' A' ' 47' ' ' GLN . 40.6 p90 -150.52 146.17 26.43 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.088 -0.505 . . . . 0.0 111.326 171.034 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 12.3 tmtt? -109.98 110.0 20.78 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.193 -172.581 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 89.3 m-20 53.9 33.36 17.08 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.068 -176.565 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 96.58 -0.8 61.51 Favored Glycine 0 CA--C 1.525 0.688 0 N-CA-C 111.154 -0.778 . . . . 0.0 111.154 176.787 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 96.9 mttt -95.07 100.04 11.93 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.834 0.349 . . . . 0.0 111.234 -178.367 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 47' ' ' GLN . . . . . 0.401 ' HA ' ' HB3' ' A' ' 42' ' ' PHE . 66.3 tt0 -51.09 127.31 18.74 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.248 -178.474 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 95.0 mt -96.93 124.95 50.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.278 -178.924 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 49' ' ' SER . . . . . 0.423 ' HA ' ' HD3' ' A' ' 50' ' ' PRO . 30.3 t -84.34 130.23 54.8 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-N 116.393 -0.367 . . . . 0.0 111.221 174.289 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 50' ' ' PRO . . . . . 0.423 ' HD3' ' HA ' ' A' ' 49' ' ' SER . 52.9 Cg_exo -54.82 139.89 78.05 Favored 'Trans proline' 0 N--CA 1.456 -0.693 0 C-N-CA 121.587 1.525 . . . . 0.0 111.209 178.006 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 98.1 mttt 58.65 54.68 5.19 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.112 -0.495 . . . . 0.0 111.192 177.593 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 14.9 t -94.9 -162.08 0.92 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.189 178.831 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 99.6 m-20 -55.62 -45.36 77.54 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.224 -177.439 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 54' ' ' HIS . . . . . . . . . . . . . 99.7 m-70 -136.16 -5.0 2.12 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.069 -0.514 . . . . 0.0 111.176 -179.634 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 55' ' ' TYR . . . . . . . . . . . . . 22.0 m-30 -108.54 96.27 6.23 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 120.991 0.424 . . . . 0.0 111.079 -173.103 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 98.3 m -98.24 124.89 43.08 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.115 179.914 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 95.9 mt -115.3 128.15 72.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.194 179.063 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 68.7 tp60 -122.39 110.03 15.14 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.217 177.003 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 41.6 ttm105 -100.77 100.02 10.63 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.332 -0.395 . . . . 0.0 111.211 -174.511 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 67.3 t0 -71.08 123.68 22.68 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.303 170.061 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 98.2 mt -74.59 -1.14 20.24 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.055 -0.52 . . . . 0.0 111.19 -170.205 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 96.7 m-20 -74.54 -14.16 60.76 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.353 -0.385 . . . . 0.0 110.977 174.0 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 121.1 21.81 3.05 Favored Glycine 0 CA--C 1.522 0.506 0 N-CA-C 111.098 -0.801 . . . . 0.0 111.098 177.284 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 63.9 m -129.24 140.02 51.62 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.767 0.318 . . . . 0.0 111.264 -178.695 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 65' ' ' CYS . . . . . . . . . . . . . 48.6 t -140.02 131.31 26.68 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.18 178.617 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 30.1 t -108.71 141.26 40.96 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.124 -177.971 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 61.1 tp -115.78 123.13 47.47 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.133 175.114 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 79.4 t60 -117.17 122.81 45.08 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.284 179.158 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 96.3 m -99.6 119.84 38.72 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.291 171.455 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 84.2 m -63.5 -46.4 86.26 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.331 -0.395 . . . . 0.0 111.303 -176.006 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -144.8 88.44 1.91 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.046 -176.448 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 47.2 t -76.57 110.05 10.82 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.033 -177.076 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 52.6 p -110.08 179.94 3.96 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.06 -0.518 . . . . 0.0 111.182 179.788 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 97.6 mt -61.93 -26.75 68.37 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.277 -178.536 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 98.7 m-20 -77.02 -17.89 58.52 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 116.091 -0.504 . . . . 0.0 111.094 175.486 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 68.2 m-20 -93.97 -15.58 24.75 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.125 178.287 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 57.2 t0 -54.85 128.46 33.24 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.12 175.353 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 161.5 -164.22 34.96 Favored Glycine 0 CA--C 1.523 0.594 0 N-CA-C 111.24 -0.744 . . . . 0.0 111.24 179.804 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 74.6 m-80 -105.04 107.62 18.69 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-O 120.894 0.378 . . . . 0.0 111.139 -174.238 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 80' ' ' TYR . . . . . . . . . . . . . 51.1 m-85 -84.65 70.37 10.76 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.062 -0.517 . . . . 0.0 111.266 178.383 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 85.8 m -64.49 133.86 53.28 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-N 116.303 -0.408 . . . . 0.0 111.216 -171.596 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 3.9 tt -104.59 142.63 17.56 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.062 178.102 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 83' ' ' MET . . . . . . . . . . . . . 67.8 ttp -132.84 117.17 17.41 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.364 178.919 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -93.1 90.77 7.02 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.317 -0.401 . . . . 0.0 111.17 178.904 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -98.15 126.64 43.7 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.219 -174.383 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 86' ' ' ASN . . . . . 0.629 ' HB2' ' CD ' ' A' ' 87' ' ' PRO . 22.8 p-10 -141.8 179.88 1.12 Allowed Pre-proline 0 C--N 1.328 -0.35 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.205 172.422 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 87' ' ' PRO . . . . . 0.629 ' CD ' ' HB2' ' A' ' 86' ' ' ASN . 78.4 Cg_exo -59.12 -25.94 79.86 Favored 'Trans proline' 0 N--CA 1.457 -0.664 0 C-N-CA 121.743 1.628 . . . . 0.0 111.262 -175.179 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 97.6 mm-40 -92.38 -4.99 52.99 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.255 -170.626 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 141.9 -165.22 26.61 Favored Glycine 0 CA--C 1.524 0.618 0 N-CA-C 111.192 -0.763 . . . . 0.0 111.192 -179.58 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 41.2 ptt180 -150.02 159.93 44.02 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 120.596 0.236 . . . . 0.0 111.181 -179.418 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 14.8 p -151.77 139.83 14.12 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.337 -0.392 . . . . 0.0 111.09 178.185 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 69.3 m -118.45 153.25 34.43 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.154 -171.767 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 93' ' ' CYS . . . . . . . . . . . . . 50.4 t -150.01 136.26 18.86 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.24 175.266 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 89.2 m -69.57 128.95 38.29 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.301 -0.409 . . . . 0.0 111.217 -174.298 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -101.82 55.99 0.71 Allowed Glycine 0 CA--C 1.523 0.533 0 N-CA-C 111.174 -0.77 . . . . 0.0 111.174 176.726 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 79.8 ttt180 -52.86 115.48 1.85 Allowed 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 120.637 0.256 . . . . 0.0 111.219 -176.836 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 60.6 tp -124.39 109.99 13.99 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.264 -0.425 . . . . 0.0 111.104 172.04 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 98' ' ' MET . . . . . . . . . . . . . 98.8 mmm -97.72 141.8 30.29 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.373 -179.796 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 68.0 t -116.97 125.03 73.65 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.431 0 CA-C-N 116.288 -0.414 . . . . 0.0 111.301 -177.031 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 64.1 tt0 . . . . . 0 C--N 1.329 -0.302 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.162 177.857 . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.455 -0.207 0 CA-C-O 120.772 0.32 . . . . 0.0 111.142 . . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 60.1 Cg_endo -73.78 154.01 48.58 Favored 'Trans proline' 0 N--CA 1.457 -0.675 0 C-N-CA 121.655 1.57 . . . . 0.0 111.233 -177.437 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 55.6 p90 -155.01 154.53 32.65 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.329 -0.396 . . . . 0.0 111.047 175.69 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 71.9 m-85 -80.44 121.26 25.51 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.078 -174.854 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 87.4 tt0 -77.06 -30.13 55.44 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.152 167.738 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 68.3 ttp -145.0 113.02 6.42 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.258 177.076 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 99.3 mttt -92.12 168.7 11.18 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.375 -172.04 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 97.6 mt -81.18 171.52 14.79 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.299 176.022 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 64.0 pttt -135.23 179.66 6.19 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.353 175.994 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 18.1 t-160 -71.69 107.22 4.41 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.198 175.599 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 80.3 m-85 -95.92 145.11 25.66 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.271 -176.895 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 98.9 mttt -133.96 139.6 46.21 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.149 176.853 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 10.8 tp -148.88 150.0 14.44 Favored 'Isoleucine or valine' 0 C--O 1.233 0.222 0 CA-C-N 116.056 -0.52 . . . . 0.0 111.205 -179.658 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 16.5 m-30 -75.59 144.84 41.58 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.31 -0.405 . . . . 0.0 111.42 172.154 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 85.1 tt0 -54.91 125.77 21.66 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.275 -0.421 . . . . 0.0 111.1 -176.984 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 101.19 -14.45 58.33 Favored Glycine 0 CA--C 1.525 0.687 0 N-CA-C 111.138 -0.785 . . . . 0.0 111.138 171.404 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 88.6 mtp -86.21 155.13 57.66 Favored Pre-proline 0 C--N 1.326 -0.417 0 CA-C-O 120.885 0.374 . . . . 0.0 111.288 -177.056 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 72.7 Cg_endo -75.16 154.99 42.15 Favored 'Trans proline' 0 N--CA 1.458 -0.562 0 C-N-CA 121.638 1.559 . . . . 0.0 111.15 179.457 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 61.9 t -133.31 125.6 51.15 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.147 178.112 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 87.6 m -124.5 122.96 39.05 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.117 -179.11 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 47.1 p90 -155.22 168.14 28.05 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.171 172.119 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 13.4 t -148.38 157.64 43.6 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.175 -173.446 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 12.5 t -139.53 143.89 37.63 Favored 'General case' 0 C--O 1.234 0.269 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.187 -178.868 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 60.3 ttt85 -120.3 129.77 54.16 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.39 -0.368 . . . . 0.0 111.256 -174.793 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 31' ' ' VAL . . . . . 0.424 HG21 ' HB2' ' A' ' 84' ' ' ALA . 71.6 t -118.95 124.74 73.68 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.395 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.311 179.863 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -94.16 64.97 3.33 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.042 -0.526 . . . . 0.0 111.295 178.826 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -95.79 171.49 28.9 Favored Glycine 0 CA--C 1.523 0.543 0 N-CA-C 111.136 -0.785 . . . . 0.0 111.136 -176.462 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 34' ' ' ASN . . . . . 0.482 ' HA ' ' HA ' ' A' ' 35' ' ' PRO . 54.2 t-20 -161.26 106.51 1.23 Allowed Pre-proline 0 CA--C 1.511 -0.555 0 CA-C-O 121.208 0.528 . . . . 0.0 110.927 -178.424 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 35' ' ' PRO . . . . . 0.482 ' HA ' ' HA ' ' A' ' 34' ' ' ASN . 23.7 Cg_exo -74.37 168.21 77.61 Favored 'Cis proline' 0 N--CA 1.458 -0.603 0 C-N-CA 121.575 -2.26 . . . . 0.0 111.096 7.844 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 69.0 mmtt -52.68 114.54 5.85 Favored Pre-proline 0 C--N 1.332 -0.186 0 CA-C-N 116.059 -0.519 . . . . 0.0 111.199 178.489 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 35.1 Cg_exo -63.51 157.51 50.59 Favored 'Trans proline' 0 N--CA 1.46 -0.457 0 C-N-CA 121.495 1.463 . . . . 0.0 111.178 -177.447 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 98.7 mttt -88.72 70.26 8.75 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.332 174.29 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 95.4 mt -42.39 121.9 0.42 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.061 -0.518 . . . . 0.0 111.22 -173.047 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 76.2 m-85 -109.96 151.05 27.61 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.303 -0.408 . . . . 0.0 111.235 174.769 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 41' ' ' TRP . . . . . . . . . . . . . 86.1 m95 -119.74 141.82 49.1 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.255 174.265 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 38.8 p90 -152.31 146.25 25.23 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.087 -0.506 . . . . 0.0 111.298 172.026 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 11.8 tmtt? -109.96 109.99 20.77 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.127 -174.723 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 95.8 m-20 54.54 31.48 14.99 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.195 -176.493 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 103.77 -19.5 44.17 Favored Glycine 0 CA--C 1.524 0.605 0 N-CA-C 111.217 -0.753 . . . . 0.0 111.217 177.343 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 88.1 tttt -79.67 109.97 14.57 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 120.77 0.319 . . . . 0.0 111.234 -176.753 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 65.8 tt0 -58.1 130.1 45.05 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.205 -177.995 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 91.3 mt -99.42 124.9 53.02 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.319 -0.4 . . . . 0.0 111.21 -179.392 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 49' ' ' SER . . . . . 0.418 ' HA ' ' HD3' ' A' ' 50' ' ' PRO . 30.1 t -89.2 134.11 33.74 Favored Pre-proline 0 C--N 1.326 -0.418 0 CA-C-N 116.399 -0.364 . . . . 0.0 111.185 174.175 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 50' ' ' PRO . . . . . 0.418 ' HD3' ' HA ' ' A' ' 49' ' ' SER . 63.7 Cg_exo -54.03 136.18 66.22 Favored 'Trans proline' 0 N--CA 1.456 -0.698 0 C-N-CA 121.646 1.564 . . . . 0.0 111.223 178.341 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 97.7 mttt 59.17 57.97 3.26 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.341 -0.39 . . . . 0.0 111.258 179.067 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 15.0 t -95.02 -160.81 0.81 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.171 178.537 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 99.0 m-20 -54.27 -45.55 72.47 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.182 -177.983 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 54' ' ' HIS . . . . . . . . . . . . . 99.5 m-70 -137.36 -5.19 1.83 Allowed 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.276 179.017 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 55' ' ' TYR . . . . . . . . . . . . . 22.0 m-30 -106.42 95.86 6.06 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 121.196 0.522 . . . . 0.0 111.058 -171.777 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 98.1 m -97.38 119.6 36.21 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.093 -179.781 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 96.9 mt -105.68 127.18 60.81 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.208 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.337 177.724 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 87.1 mt-30 -119.95 100.46 7.24 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.3 -0.409 . . . . 0.0 111.258 175.077 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 55.3 ttp180 -101.47 117.76 35.58 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.191 -173.598 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 65.6 t0 -100.56 132.56 45.89 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.322 -0.399 . . . . 0.0 111.201 176.784 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 95.3 mt -65.0 -16.47 63.47 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.265 -177.518 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 33.6 t70 -56.89 -33.26 66.72 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.323 -0.399 . . . . 0.0 111.143 175.496 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 133.54 -10.81 4.95 Favored Glycine 0 CA--C 1.522 0.523 0 N-CA-C 111.107 -0.797 . . . . 0.0 111.107 177.293 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 99.5 m -99.27 130.56 45.57 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.876 0.37 . . . . 0.0 111.282 178.495 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 65' ' ' CYS . . . . . . . . . . . . . 42.7 t -132.4 129.92 39.97 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.113 177.019 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 63.2 m -105.92 148.54 27.51 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.241 -175.333 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 61.5 tp -125.83 120.86 31.64 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.234 173.497 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 82.4 t60 -113.84 123.7 50.44 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.261 179.064 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 95.8 m -98.86 119.91 38.41 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.099 -0.5 . . . . 0.0 111.07 171.837 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 79.0 m -65.1 -44.99 87.01 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.183 -175.676 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -144.65 88.38 1.91 Allowed 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 116.299 -0.409 . . . . 0.0 111.196 -176.106 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 46.6 t -78.9 106.94 11.28 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.205 -177.512 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 51.1 p -109.16 -179.17 3.77 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.157 -179.96 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 97.4 mt -60.76 -28.44 68.72 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.01 -0.541 . . . . 0.0 111.129 -178.379 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 98.8 m-20 -76.74 -17.61 58.97 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.176 176.348 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 66.9 m-20 -95.08 -15.19 23.61 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.157 178.51 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 57.4 t0 -54.72 127.34 27.81 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.23 174.422 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 162.59 -165.07 36.04 Favored Glycine 0 CA--C 1.524 0.627 0 N-CA-C 111.224 -0.75 . . . . 0.0 111.224 179.996 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 74.2 m-80 -104.62 108.59 20.12 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.748 0.309 . . . . 0.0 111.059 -175.029 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 80' ' ' TYR . . . . . . . . . . . . . 37.8 m-85 -84.54 69.94 10.65 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.199 178.144 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 86.8 m -65.25 134.94 54.73 Favored 'General case' 0 C--O 1.234 0.273 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.249 -172.655 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 1.5 tt -107.06 140.04 26.58 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.409 0 CA-C-O 120.879 0.371 . . . . 0.0 111.097 175.66 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 83' ' ' MET . . . . . . . . . . . . . 60.3 ttm -133.14 114.53 13.98 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.289 -178.088 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 84' ' ' ALA . . . . . 0.424 ' HB2' HG21 ' A' ' 31' ' ' VAL . . . -93.16 89.93 6.65 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.073 -179.548 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -93.11 128.35 38.99 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.31 -0.404 . . . . 0.0 111.216 -177.412 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 86' ' ' ASN . . . . . 0.623 ' HB2' ' CD ' ' A' ' 87' ' ' PRO . 22.8 p30 -140.58 179.17 1.31 Allowed Pre-proline 0 C--N 1.328 -0.344 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.196 173.464 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 87' ' ' PRO . . . . . 0.623 ' CD ' ' HB2' ' A' ' 86' ' ' ASN . 71.5 Cg_exo -58.58 -27.76 83.65 Favored 'Trans proline' 0 N--CA 1.456 -0.714 0 C-N-CA 121.858 1.705 . . . . 0.0 111.249 -173.607 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 98.6 mm-40 -99.78 4.97 45.61 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.087 -0.506 . . . . 0.0 111.201 -169.052 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 136.38 -168.92 23.95 Favored Glycine 0 CA--C 1.523 0.538 0 N-CA-C 111.33 -0.708 . . . . 0.0 111.33 178.03 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 39.7 ptt180 -144.85 159.1 43.43 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.74 0.305 . . . . 0.0 111.073 -177.912 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 14.9 p -150.71 135.1 9.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.086 -0.506 . . . . 0.0 111.069 177.451 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 93.3 p -117.96 157.98 25.75 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.389 -170.909 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 93' ' ' CYS . . . . . . . . . . . . . 53.8 t -150.76 135.04 16.97 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.428 174.108 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 85.5 m -72.12 130.03 39.9 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.316 -0.402 . . . . 0.0 111.249 -174.037 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -102.63 55.65 0.67 Allowed Glycine 0 CA--C 1.524 0.616 0 N-CA-C 111.219 -0.752 . . . . 0.0 111.219 177.803 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 79.3 ttt180 -51.7 115.3 1.58 Allowed 'General case' 0 C--N 1.326 -0.429 0 CA-C-O 120.777 0.323 . . . . 0.0 111.21 -178.015 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 58.9 tp -124.79 109.91 13.67 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.323 172.043 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 98' ' ' MET . . . . . . . . . . . . . 98.7 mmm -97.96 141.48 30.87 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.121 -179.06 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 77.8 t -117.1 125.0 73.68 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.262 -177.341 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 64.0 tt0 . . . . . 0 C--N 1.33 -0.261 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.172 -179.863 . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.456 -0.165 0 CA-C-O 120.835 0.35 . . . . 0.0 111.096 . . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 65.9 Cg_exo -55.77 131.32 45.36 Favored 'Trans proline' 0 N--CA 1.458 -0.562 0 C-N-CA 121.552 1.502 . . . . 0.0 111.229 -179.029 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 92.0 t80 -155.12 124.11 6.2 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.311 -0.404 . . . . 0.0 111.058 172.137 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 44.3 m-85 -69.95 91.52 0.67 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.083 -0.508 . . . . 0.0 111.041 -176.311 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 17.1 pt-20 -62.44 -20.04 64.11 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.141 -0.482 . . . . 0.0 111.184 175.182 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 66.7 ttp -137.61 107.22 6.19 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.147 -0.478 . . . . 0.0 111.162 172.514 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 99.5 mttt -92.6 173.74 7.63 Favored 'General case' 0 C--O 1.233 0.2 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.239 -174.606 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 96.5 mt -81.85 153.19 26.52 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.181 -177.421 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 97.1 mttt -106.09 165.03 11.51 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.207 177.853 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 23.2 t-160 -89.18 110.03 20.82 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.141 175.839 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 97.0 m-85 -98.54 145.44 26.8 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.417 -0.356 . . . . 0.0 111.247 -175.506 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 97.5 mttt -113.34 92.86 4.15 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.234 175.192 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 43.0 mm -110.01 140.06 30.62 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.079 -168.1 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 49.3 m-85 -72.68 146.79 46.28 Favored 'General case' 0 CA--C 1.52 -0.185 0 CA-C-N 116.072 -0.513 . . . . 0.0 111.323 179.073 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 87.8 tt0 -55.04 120.68 7.29 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.276 179.045 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 94.14 -11.69 70.23 Favored Glycine 0 CA--C 1.523 0.575 0 N-CA-C 111.311 -0.715 . . . . 0.0 111.311 177.024 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 26.3 ttt -79.96 136.78 54.03 Favored Pre-proline 0 C--N 1.328 -0.339 0 CA-C-O 120.864 0.364 . . . . 0.0 111.286 -177.635 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 62.5 Cg_endo -71.02 148.83 57.74 Favored 'Trans proline' 0 C--N 1.327 -0.553 0 C-N-CA 121.546 1.497 . . . . 0.0 111.2 177.03 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 7.6 p -148.81 134.89 12.19 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.093 176.881 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 87.0 m -113.09 130.52 56.14 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.155 177.658 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 27.2 p90 -146.95 153.24 39.86 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.137 177.972 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 9.5 t -149.21 157.04 43.03 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.249 -167.496 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 21.3 t -140.41 144.14 36.01 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.289 -0.414 . . . . 0.0 111.258 -178.658 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 78.5 ttt180 -125.82 135.92 52.53 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.431 -0.35 . . . . 0.0 111.174 -176.129 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 7.5 p -122.26 128.97 75.65 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.374 0 CA-C-N 116.068 -0.515 . . . . 0.0 111.16 -176.535 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -86.95 64.98 8.77 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.069 -0.514 . . . . 0.0 111.334 178.214 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -105.46 157.06 16.46 Favored Glycine 0 CA--C 1.521 0.441 0 N-CA-C 111.192 -0.763 . . . . 0.0 111.192 -176.861 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 34' ' ' ASN . . . . . 0.451 ' HA ' ' HA ' ' A' ' 35' ' ' PRO . 54.0 t-20 -154.99 108.93 2.3 Favored Pre-proline 0 CA--C 1.51 -0.59 0 CA-C-O 121.225 0.536 . . . . 0.0 111.002 177.028 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 35' ' ' PRO . . . . . 0.451 ' HA ' ' HA ' ' A' ' 34' ' ' ASN . 24.1 Cg_exo -74.9 169.46 74.41 Favored 'Cis proline' 0 N--CA 1.456 -0.695 0 C-N-CA 121.581 -2.258 . . . . 0.0 111.179 9.152 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 36' ' ' LYS . . . . . 0.447 ' HD2' ' N ' ' A' ' 36' ' ' LYS . 4.0 mptp? -59.06 115.75 13.2 Favored Pre-proline 0 C--N 1.33 -0.24 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.068 -178.843 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 37' ' ' PRO . . . . . 0.46 ' HA ' ' HB3' ' A' ' 86' ' ' ASN . 50.2 Cg_exo -60.07 156.56 38.74 Favored 'Trans proline' 0 N--CA 1.458 -0.613 0 C-N-CA 121.646 1.564 . . . . 0.0 111.149 -176.102 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 99.4 mttt -83.54 82.49 8.28 Favored 'General case' 0 C--N 1.332 -0.159 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.352 176.256 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 94.1 mt -55.96 125.04 10.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.081 -173.552 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 73.1 m-85 -111.9 145.04 40.23 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.257 -0.428 . . . . 0.0 111.176 175.038 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 41' ' ' TRP . . . . . . . . . . . . . 68.5 m95 -119.91 133.88 55.42 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.06 -0.518 . . . . 0.0 111.22 175.918 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 35.1 p90 -151.93 142.54 22.73 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.11 -0.496 . . . . 0.0 111.321 172.275 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 14.0 tmtt? -109.39 110.04 21.07 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.232 -174.856 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 95.0 m-20 55.03 32.55 18.41 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.363 -0.38 . . . . 0.0 111.034 -174.894 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 94.97 0.38 63.84 Favored Glycine 0 CA--C 1.523 0.538 0 N-CA-C 111.201 -0.76 . . . . 0.0 111.201 177.099 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 97.1 mttt -95.05 100.21 12.08 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.941 0.4 . . . . 0.0 111.077 -178.887 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 66.4 tt0 -50.88 129.97 24.31 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.302 -178.113 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 93.4 mt -100.02 123.66 52.99 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-N 116.309 -0.405 . . . . 0.0 111.148 -177.648 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 49' ' ' SER . . . . . 0.422 ' HA ' ' HD3' ' A' ' 50' ' ' PRO . 30.0 t -89.88 134.13 32.58 Favored Pre-proline 0 C--N 1.327 -0.374 0 CA-C-N 116.246 -0.433 . . . . 0.0 111.227 175.236 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 50' ' ' PRO . . . . . 0.422 ' HD3' ' HA ' ' A' ' 49' ' ' SER . 52.1 Cg_exo -54.91 139.05 78.85 Favored 'Trans proline' 0 N--CA 1.458 -0.594 0 C-N-CA 121.703 1.602 . . . . 0.0 111.223 177.919 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 98.3 mttt 57.9 54.62 5.95 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.227 177.435 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 14.9 t -94.91 -162.11 0.92 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.214 178.949 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 99.7 m-20 -55.79 -45.09 78.3 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.259 -177.11 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 54' ' ' HIS . . . . . . . . . . . . . 99.7 m-70 -135.97 -5.06 2.16 Favored 'General case' 0 C--O 1.234 0.286 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.253 -179.503 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 55' ' ' TYR . . . . . . . . . . . . . 21.0 m-30 -108.97 95.58 5.74 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 121.089 0.471 . . . . 0.0 111.158 -173.57 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 97.2 m -99.52 123.2 43.57 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.18 179.633 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 94.7 mt -109.97 123.53 65.94 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.228 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.143 -177.715 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 99.0 mm-40 -106.35 138.21 42.94 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.147 170.473 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 94.2 mtt-85 -120.01 103.27 9.17 Favored 'General case' 0 C--O 1.234 0.251 0 CA-C-N 116.292 -0.413 . . . . 0.0 111.248 -172.631 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 68.0 t0 -84.95 120.3 26.35 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.305 -0.407 . . . . 0.0 111.214 171.653 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 95.9 mt -70.62 -7.29 43.09 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.141 -170.293 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 96.1 m-20 -70.29 -16.08 62.97 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.282 -0.417 . . . . 0.0 111.191 176.203 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 120.73 23.41 2.8 Favored Glycine 0 CA--C 1.523 0.592 0 N-CA-C 111.029 -0.828 . . . . 0.0 111.029 177.844 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 73.7 m -125.05 139.28 53.94 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-O 120.873 0.368 . . . . 0.0 111.236 -179.938 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 65' ' ' CYS . . . . . . . . . . . . . 37.4 t -135.69 134.32 39.02 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.066 -0.515 . . . . 0.0 111.196 177.11 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 37.6 t -117.75 132.01 56.52 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.217 -175.961 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 60.6 tp -111.92 118.43 35.46 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.282 176.092 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 76.7 t60 -102.19 126.84 49.27 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.335 175.762 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 97.7 m -100.28 115.13 29.21 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.106 172.216 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 81.9 m -65.53 -40.3 92.76 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.255 -175.752 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -141.33 88.87 2.18 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.056 -0.52 . . . . 0.0 111.311 -177.444 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 23.3 t -76.89 80.87 3.46 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.141 -176.982 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 62.4 p -85.09 177.79 7.78 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.056 -179.832 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 98.8 mt -61.93 -26.76 68.37 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 115.981 -0.554 . . . . 0.0 111.275 -176.177 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 99.8 m-20 -75.92 -19.54 58.72 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.13 176.165 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 68.9 m-20 -91.89 -7.73 48.42 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.352 178.901 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 54.6 t0 -64.26 127.87 33.34 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.247 171.173 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 156.78 -160.52 30.38 Favored Glycine 0 CA--C 1.524 0.607 0 N-CA-C 111.315 -0.714 . . . . 0.0 111.315 -178.042 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 72.5 m-80 -104.74 106.75 17.37 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.708 0.29 . . . . 0.0 111.204 -171.171 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 80' ' ' TYR . . . . . . . . . . . . . 90.5 m-85 -80.48 69.91 7.06 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.293 -0.412 . . . . 0.0 111.245 174.585 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 86.7 m -68.34 130.09 41.87 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.067 -171.943 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 5.3 tt -112.22 139.79 35.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.062 177.601 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 83' ' ' MET . . . . . . . . . . . . . 66.4 ttp -130.11 122.39 28.17 Favored 'General case' 0 C--O 1.233 0.209 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.262 -179.941 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -106.3 92.83 4.3 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.317 -0.401 . . . . 0.0 111.121 179.758 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -103.14 131.05 50.45 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.251 -174.084 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 86' ' ' ASN . . . . . 0.656 ' HB2' ' CD ' ' A' ' 87' ' ' PRO . 24.9 p-10 -141.86 179.99 1.1 Allowed Pre-proline 0 C--N 1.329 -0.301 0 CA-C-N 116.015 -0.539 . . . . 0.0 111.14 172.867 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 87' ' ' PRO . . . . . 0.656 ' CD ' ' HB2' ' A' ' 86' ' ' ASN . 75.4 Cg_exo -58.58 -25.16 73.47 Favored 'Trans proline' 0 N--CA 1.457 -0.675 0 C-N-CA 121.71 1.606 . . . . 0.0 111.244 -175.068 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 97.3 mm-40 -92.67 -5.02 52.29 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.184 -170.31 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 145.36 -161.85 28.19 Favored Glycine 0 CA--C 1.525 0.681 0 N-CA-C 111.26 -0.736 . . . . 0.0 111.26 -179.216 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 41.4 ptt180 -151.02 160.02 44.19 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 120.682 0.277 . . . . 0.0 111.228 178.759 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 11.9 p -147.09 137.6 17.49 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.421 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.104 176.376 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 29.0 t -124.08 139.98 53.41 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.409 -174.729 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 93' ' ' CYS . . . . . . . . . . . . . 40.4 t -135.71 134.79 39.48 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.269 177.216 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 92.9 m -84.28 117.22 23.42 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.244 -176.116 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -90.66 59.31 3.31 Favored Glycine 0 CA--C 1.523 0.539 0 N-CA-C 111.222 -0.751 . . . . 0.0 111.222 -177.571 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -60.27 110.05 1.14 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.869 0.366 . . . . 0.0 111.233 -179.098 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 1.9 mp -119.97 131.05 55.05 Favored 'General case' 0 C--O 1.236 0.346 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.171 174.435 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 98' ' ' MET . . . . . . . . . . . . . 13.8 tmm? -109.41 140.07 43.59 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.372 -0.377 . . . . 0.0 111.185 -174.792 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 95.8 t -116.58 131.91 67.79 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 CA-C-N 116.158 -0.473 . . . . 0.0 111.215 -178.26 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 65.4 tt0 . . . . . 0 C--N 1.33 -0.261 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.261 177.641 . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.233 0.23 0 CA-C-O 120.666 0.27 . . . . 0.0 111.263 . . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 77.5 Cg_exo -53.92 132.15 48.21 Favored 'Trans proline' 0 N--CA 1.457 -0.643 0 C-N-CA 121.657 1.572 . . . . 0.0 111.126 -179.856 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 84.3 t80 -149.48 126.58 11.3 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.218 177.166 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 70.4 m-85 -70.21 87.01 0.58 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.159 179.775 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 16.6 pt-20 -64.05 -20.1 65.69 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.169 172.816 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 67.0 ttp -136.17 113.42 10.64 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.075 -0.512 . . . . 0.0 111.243 167.426 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 99.6 mttt -94.86 166.11 12.13 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.061 -0.518 . . . . 0.0 111.296 -170.661 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 99.5 mt -81.77 156.97 24.68 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.287 -0.415 . . . . 0.0 111.294 177.399 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 97.6 mttt -114.89 176.86 4.87 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.344 -0.389 . . . . 0.0 111.214 175.281 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 19.6 t-160 -74.94 109.19 8.2 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.092 -0.504 . . . . 0.0 111.12 173.275 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 74.1 m-85 -97.29 143.46 28.04 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.411 -0.359 . . . . 0.0 111.198 -173.168 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 99.1 mttt -135.36 140.09 44.75 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.02 -0.536 . . . . 0.0 111.273 177.622 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 10.6 tp -148.54 149.98 14.59 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.087 -177.426 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 65.2 m-85 -76.44 145.37 39.34 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.263 173.607 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 88.7 tt0 -53.73 123.93 13.72 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.062 -178.678 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 101.31 -15.33 57.72 Favored Glycine 0 CA--C 1.524 0.6 0 N-CA-C 111.333 -0.707 . . . . 0.0 111.333 172.205 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 97.8 mmm -85.03 154.63 60.75 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 120.73 0.3 . . . . 0.0 111.334 -175.832 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 71.8 Cg_endo -76.01 154.99 38.22 Favored 'Trans proline' 0 C--N 1.329 -0.484 0 C-N-CA 121.631 1.554 . . . . 0.0 111.134 179.985 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 57.7 t -133.68 125.29 49.4 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.23 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.119 178.391 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 88.7 m -127.34 122.89 34.97 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.11 -179.135 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 52.2 p90 -156.84 165.0 37.45 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.231 172.608 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 12.4 t -145.77 160.51 41.64 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.19 -171.854 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 9.8 t -136.8 147.59 46.68 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.346 -0.388 . . . . 0.0 111.189 179.523 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 43.1 ttm180 -124.32 134.82 53.07 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.856 0.36 . . . . 0.0 111.187 -174.838 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 82.0 t -125.59 129.01 72.8 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.362 0 CA-C-N 116.303 -0.408 . . . . 0.0 111.306 -173.737 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -92.54 64.99 4.33 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.071 -0.513 . . . . 0.0 111.258 178.69 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -105.87 161.17 14.5 Favored Glycine 0 CA--C 1.521 0.409 0 N-CA-C 111.242 -0.743 . . . . 0.0 111.242 -177.336 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 34' ' ' ASN . . . . . 0.436 ' HA ' ' C ' ' A' ' 35' ' ' PRO . 54.1 t-20 -155.0 109.27 2.3 Favored Pre-proline 0 CA--C 1.511 -0.553 0 CA-C-O 121.201 0.524 . . . . 0.0 110.944 178.046 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 35' ' ' PRO . . . . . 0.436 ' C ' ' HA ' ' A' ' 34' ' ' ASN . 24.6 Cg_exo -74.57 164.54 87.81 Favored 'Cis proline' 0 N--CA 1.457 -0.671 0 C-N-CA 121.653 -2.228 . . . . 0.0 111.264 9.183 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 65.0 mmtt -54.65 117.01 12.26 Favored Pre-proline 0 C--N 1.331 -0.231 0 CA-C-N 116.044 -0.525 . . . . 0.0 111.041 -179.775 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 37' ' ' PRO . . . . . 0.465 ' HA ' ' HB3' ' A' ' 86' ' ' ASN . 50.7 Cg_exo -60.55 153.85 58.31 Favored 'Trans proline' 0 N--CA 1.458 -0.576 0 C-N-CA 121.609 1.539 . . . . 0.0 111.236 -178.329 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 98.8 mttt -87.87 70.0 9.5 Favored 'General case' 0 C--N 1.332 -0.166 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.283 175.778 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 94.2 mt -43.49 120.46 0.41 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.094 -172.813 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 74.4 m-85 -109.17 150.74 27.44 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.194 175.118 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 41' ' ' TRP . . . . . . . . . . . . . 92.4 m95 -115.93 142.52 46.68 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.244 172.967 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 41.2 p90 -150.9 145.81 25.88 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.167 170.086 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 12.3 tmtt? -110.01 110.08 20.88 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.215 -172.704 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 89.8 m-20 53.92 33.26 16.9 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.202 -176.504 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 97.0 -1.73 61.21 Favored Glycine 0 CA--C 1.526 0.763 0 N-CA-C 111.136 -0.786 . . . . 0.0 111.136 176.672 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 96.9 mttt -94.92 100.22 12.12 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 120.858 0.361 . . . . 0.0 111.215 -178.161 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 66.4 tt0 -50.99 128.0 20.28 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.28 -178.527 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 95.3 mt -97.25 124.97 50.42 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.364 0 CA-C-N 116.383 -0.371 . . . . 0.0 111.245 -178.949 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 49' ' ' SER . . . . . 0.416 ' HA ' ' HD3' ' A' ' 50' ' ' PRO . 30.5 t -84.73 130.21 53.87 Favored Pre-proline 0 C--N 1.327 -0.402 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.22 173.934 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 50' ' ' PRO . . . . . 0.416 ' HD3' ' HA ' ' A' ' 49' ' ' SER . 58.7 Cg_exo -54.16 137.72 70.64 Favored 'Trans proline' 0 N--CA 1.456 -0.679 0 C-N-CA 121.622 1.548 . . . . 0.0 111.154 178.244 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 97.8 mttt 59.35 57.01 3.53 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.299 178.647 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 15.3 t -95.01 -161.66 0.88 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.252 178.393 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 99.6 m-20 -55.25 -45.19 76.06 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 121.013 0.435 . . . . 0.0 111.171 -178.167 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 54' ' ' HIS . . . . . . . . . . . . . 99.5 m-70 -136.5 -5.24 2.02 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 115.983 -0.553 . . . . 0.0 111.2 -179.856 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 55' ' ' TYR . . . . . . . . . . . . . 22.1 m-30 -107.36 95.2 5.54 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.34 -0.391 . . . . 0.0 111.158 -172.921 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 98.2 m -97.43 125.01 41.83 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.064 -179.811 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 96.8 mt -114.81 132.45 63.98 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.149 179.119 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 69.9 tp60 -128.56 110.06 11.93 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.233 177.019 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 39.6 ttm105 -101.16 100.09 10.59 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.251 -175.368 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 67.0 t0 -71.63 124.04 23.83 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-O 120.894 0.378 . . . . 0.0 111.189 170.74 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 97.5 mt -73.75 -2.68 24.4 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.271 -171.363 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 97.7 m-20 -74.94 -10.21 59.27 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.123 173.751 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 115.71 27.45 3.03 Favored Glycine 0 CA--C 1.522 0.529 0 N-CA-C 111.086 -0.806 . . . . 0.0 111.086 174.158 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 57.0 m -135.08 135.21 41.07 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-O 120.631 0.253 . . . . 0.0 111.281 179.83 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 65' ' ' CYS . . . . . . . . . . . . . 49.5 t -134.1 127.94 33.15 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.118 179.896 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 29.7 t -106.44 142.79 35.53 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.249 -178.14 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 59.8 tp -117.09 123.85 47.79 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.222 173.983 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 80.5 t60 -117.65 122.05 42.52 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.286 179.512 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 96.1 m -99.12 119.9 38.61 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.133 171.753 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 80.1 m -64.71 -45.26 87.32 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.191 -175.628 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -144.94 88.05 1.87 Allowed 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.254 -176.51 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 47.5 t -77.23 108.92 10.68 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.126 -177.118 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 52.6 p -110.46 -178.19 3.43 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.153 179.908 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 97.0 mt -61.94 -27.85 69.13 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.906 -0.588 . . . . 0.0 111.396 -177.991 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 98.9 m-20 -76.83 -17.49 58.97 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.067 175.994 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 68.0 m-20 -95.02 -16.05 23.01 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.217 178.669 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 58.0 t0 -55.04 128.22 32.64 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.314 174.861 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 161.17 -164.05 34.68 Favored Glycine 0 CA--C 1.521 0.44 0 N-CA-C 111.282 -0.727 . . . . 0.0 111.282 -179.713 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 74.4 m-80 -105.05 107.78 18.94 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.866 0.365 . . . . 0.0 111.242 -174.035 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 80' ' ' TYR . . . . . . . . . . . . . 50.8 m-85 -84.82 71.24 10.89 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.237 178.321 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 86.0 m -65.02 133.54 51.89 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.229 -171.321 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 5.8 tt -104.03 141.73 19.07 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.328 -0.396 . . . . 0.0 110.993 177.599 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 83' ' ' MET . . . . . . . . . . . . . 60.0 ttm -134.28 117.02 15.96 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.015 -0.539 . . . . 0.0 111.291 179.145 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -94.55 91.6 6.67 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.9 0.381 . . . . 0.0 111.207 179.448 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -96.87 127.54 42.95 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.25 -175.113 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 86' ' ' ASN . . . . . 0.623 ' HB2' ' CD ' ' A' ' 87' ' ' PRO . 22.8 p-10 -142.75 179.26 1.23 Allowed Pre-proline 0 C--N 1.328 -0.349 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.063 172.572 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 87' ' ' PRO . . . . . 0.623 ' CD ' ' HB2' ' A' ' 86' ' ' ASN . 76.9 Cg_exo -59.04 -26.03 80.07 Favored 'Trans proline' 0 N--CA 1.457 -0.635 0 C-N-CA 121.739 1.626 . . . . 0.0 111.262 -175.031 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 96.8 mm-40 -92.92 -5.02 51.73 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.058 -0.519 . . . . 0.0 111.309 -170.412 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 142.05 -164.0 26.92 Favored Glycine 0 CA--C 1.522 0.473 0 N-CA-C 111.378 -0.689 . . . . 0.0 111.378 -179.853 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 40.2 ptt180 -149.83 160.0 43.91 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.652 0.263 . . . . 0.0 111.27 -179.308 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 14.0 p -150.33 138.97 14.89 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.423 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.191 176.168 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 89.0 p -120.15 153.97 35.44 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.3 -0.409 . . . . 0.0 111.247 -172.685 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 93' ' ' CYS . . . . . . . . . . . . . 50.5 t -151.44 136.65 17.53 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.34 176.637 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 88.9 m -69.34 128.95 38.39 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.311 -0.404 . . . . 0.0 111.351 -174.971 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -101.74 56.15 0.71 Allowed Glycine 0 CA--C 1.524 0.652 0 N-CA-C 111.256 -0.738 . . . . 0.0 111.256 176.832 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 79.3 ttt180 -53.22 115.15 1.74 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.744 0.306 . . . . 0.0 111.287 -176.407 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 60.8 tp -123.81 110.3 14.71 Favored 'General case' 0 C--O 1.235 0.32 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.105 172.428 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 98' ' ' MET . . . . . . . . . . . . . 98.7 mmm -97.98 141.75 30.56 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.15 -179.376 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 89.3 t -116.48 124.81 73.07 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.416 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.191 -176.749 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 51.1 tp60 . . . . . 0 C--N 1.329 -0.305 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.214 175.676 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.523 0.591 0 N-CA-C 111.225 -0.75 . . . . 0.0 111.225 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 76.23 -129.89 10.43 Favored Glycine 0 CA--C 1.524 0.611 0 N-CA-C 111.207 -0.757 . . . . 0.0 111.207 -178.722 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 84.9 p -154.8 179.01 9.5 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-O 120.732 0.301 . . . . 0.0 111.197 -178.803 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 61.9 t30 57.86 51.84 8.65 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.289 -0.414 . . . . 0.0 111.237 -179.323 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -160.35 169.25 23.5 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.03 -0.532 . . . . 0.0 111.149 -176.447 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 85.4 m -131.63 130.04 41.61 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.268 -175.987 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -60.35 151.83 66.84 Favored Pre-proline 0 C--N 1.326 -0.417 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.075 -179.794 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 35.9 Cg_endo -65.28 141.53 69.09 Favored 'Trans proline' 0 N--CA 1.457 -0.668 0 C-N-CA 121.627 1.551 . . . . 0.0 111.211 -179.184 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 90.0 t80 -154.98 124.97 6.63 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.342 -0.39 . . . . 0.0 111.184 -179.1 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 90.7 m-85 -74.86 90.23 2.38 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.195 176.643 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 21.9 pt-20 -70.66 -14.67 62.56 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.053 -0.522 . . . . 0.0 111.208 176.248 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 12' ' ' MET . . . . . 0.41 ' HB3' ' HB3' ' A' ' 30' ' ' ARG . 64.5 ttp -139.36 103.63 4.78 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.28 167.423 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 98.7 mttt -88.58 163.58 15.78 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.223 -172.872 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 96.4 mt -78.74 166.85 22.01 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.267 173.355 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 63.9 pttt -133.51 179.82 5.98 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.335 179.209 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 18.6 t-160 -72.58 108.36 5.58 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.29 -0.414 . . . . 0.0 111.025 177.697 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 76.6 m-85 -97.87 147.55 24.33 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.323 -0.399 . . . . 0.0 111.282 -178.416 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 99.1 mttt -133.98 139.7 46.25 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.268 176.875 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 10.0 tp -148.83 151.85 12.74 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.201 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.071 -177.585 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 64.7 m-85 -78.98 145.99 33.63 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.245 172.955 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 88.5 tt0 -53.97 124.98 17.07 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.2 -178.226 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 102.52 -16.53 54.88 Favored Glycine 0 CA--C 1.524 0.63 0 N-CA-C 111.213 -0.755 . . . . 0.0 111.213 172.252 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 97.9 mmm -84.89 153.54 60.5 Favored Pre-proline 0 C--N 1.33 -0.253 0 CA-C-O 120.894 0.378 . . . . 0.0 111.285 -175.641 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 72.4 Cg_endo -75.68 153.59 38.71 Favored 'Trans proline' 0 C--N 1.328 -0.537 0 C-N-CA 121.595 1.53 . . . . 0.0 111.138 179.111 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 47.2 t -135.02 128.0 49.02 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.198 0 CA-C-N 116.054 -0.521 . . . . 0.0 111.07 178.467 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 84.8 m -120.73 125.04 46.63 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.033 178.823 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 37.0 p90 -149.94 158.75 44.48 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.082 -0.508 . . . . 0.0 111.122 176.043 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 11.4 t -151.97 157.79 42.23 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.154 -172.22 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 24.6 t -142.58 141.96 32.08 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.313 -0.403 . . . . 0.0 111.135 -176.488 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 30' ' ' ARG . . . . . 0.41 ' HB3' ' HB3' ' A' ' 12' ' ' MET . 57.6 ttt85 -121.88 136.33 54.92 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.33 -0.396 . . . . 0.0 111.2 -173.446 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 28.3 m -119.05 159.97 19.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.291 179.449 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -119.95 32.84 5.86 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.278 177.316 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -76.43 161.2 51.47 Favored Glycine 0 CA--C 1.522 0.471 0 N-CA-C 111.094 -0.802 . . . . 0.0 111.094 -176.438 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 34' ' ' ASN . . . . . 0.44 ' HA ' ' C ' ' A' ' 35' ' ' PRO . 54.1 t-20 -151.3 110.0 3.0 Favored Pre-proline 0 CA--C 1.51 -0.579 0 CA-C-O 121.14 0.495 . . . . 0.0 111.02 179.46 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 35' ' ' PRO . . . . . 0.44 ' C ' ' HA ' ' A' ' 34' ' ' ASN . 24.6 Cg_exo -74.87 164.8 87.45 Favored 'Cis proline' 0 N--CA 1.456 -0.686 0 C-N-CA 121.729 -2.196 . . . . 0.0 111.154 9.555 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 64.4 mmtt -52.91 119.01 14.94 Favored Pre-proline 0 C--N 1.332 -0.187 0 CA-C-N 116.026 -0.534 . . . . 0.0 111.123 179.516 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 37' ' ' PRO . . . . . 0.578 ' HA ' ' HB3' ' A' ' 86' ' ' ASN . 53.6 Cg_exo -57.24 148.07 72.69 Favored 'Trans proline' 0 N--CA 1.458 -0.576 0 C-N-CA 121.676 1.584 . . . . 0.0 111.158 -178.096 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 99.6 mttt -79.98 69.88 6.44 Favored 'General case' 0 C--N 1.332 -0.179 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.403 175.582 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 41.1 mm -42.63 121.68 0.43 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.054 -0.521 . . . . 0.0 111.128 -170.405 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 79.9 m-85 -109.53 141.6 41.78 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.217 174.645 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 41' ' ' TRP . . . . . . . . . . . . . 91.7 m95 -113.19 138.04 50.56 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 121.072 0.463 . . . . 0.0 111.114 175.235 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 35.5 p90 -153.83 146.18 23.93 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.066 -0.515 . . . . 0.0 111.326 172.072 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 12.5 tmtt? -110.28 110.0 20.65 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.207 -174.861 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 95.8 m-20 54.91 32.96 18.95 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.24 -176.245 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 95.2 0.75 63.15 Favored Glycine 0 CA--C 1.525 0.693 0 N-CA-C 111.102 -0.799 . . . . 0.0 111.102 176.869 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 97.1 mttt -95.02 100.58 12.39 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.756 0.313 . . . . 0.0 111.206 -179.182 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 66.4 tt0 -50.86 128.93 22.28 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.317 -0.402 . . . . 0.0 111.179 -177.983 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 95.8 mt -99.6 125.03 53.29 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.178 -178.393 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 49' ' ' SER . . . . . 0.42 ' HA ' ' HD3' ' A' ' 50' ' ' PRO . 30.7 t -86.85 133.27 39.82 Favored Pre-proline 0 C--N 1.326 -0.456 0 CA-C-N 116.31 -0.404 . . . . 0.0 111.24 174.331 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 50' ' ' PRO . . . . . 0.42 ' HD3' ' HA ' ' A' ' 49' ' ' SER . 55.5 Cg_exo -54.8 137.36 74.72 Favored 'Trans proline' 0 N--CA 1.457 -0.65 0 C-N-CA 121.688 1.592 . . . . 0.0 111.244 178.805 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 98.0 mttt 58.5 57.0 4.02 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.238 178.085 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 14.9 t -95.01 -161.6 0.87 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.097 -0.501 . . . . 0.0 111.186 178.813 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 99.5 m-20 -55.03 -45.41 75.18 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.192 -177.798 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 54' ' ' HIS . . . . . . . . . . . . . 99.5 m-70 -136.87 -5.04 1.94 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.355 -179.972 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 55' ' ' TYR . . . . . . . . . . . . . 22.0 m-30 -107.55 97.5 7.23 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.059 -172.772 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 97.4 m -98.49 121.2 40.14 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.227 179.726 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 98.4 mt -106.67 131.31 56.82 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.239 178.455 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 70.8 tp60 -130.05 109.64 11.01 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.292 -0.413 . . . . 0.0 111.142 173.212 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 80.9 mtm180 -102.61 111.26 23.5 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.272 -177.367 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 65.2 t0 -85.43 131.36 34.4 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.294 -0.412 . . . . 0.0 111.19 174.54 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 95.3 mt -65.38 -16.04 63.2 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.315 -177.146 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 24.4 t70 -62.15 -28.48 69.68 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.088 177.382 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 129.8 -0.42 5.79 Favored Glycine 0 CA--C 1.523 0.565 0 N-CA-C 111.125 -0.79 . . . . 0.0 111.125 175.359 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 98.0 m -106.55 122.25 45.93 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.783 0.325 . . . . 0.0 111.259 178.545 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 65' ' ' CYS . . . . . . . . . . . . . 89.1 m -121.39 138.99 54.02 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.077 177.623 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 49.5 m -120.01 146.75 45.57 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.212 -173.566 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 55.5 tp -128.72 120.04 25.73 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.034 -0.53 . . . . 0.0 111.154 173.859 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 83.3 t60 -110.62 128.76 55.82 Favored 'General case' 0 N--CA 1.455 -0.188 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.351 -177.858 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 97.9 m -100.36 116.65 32.83 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.187 171.719 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 80.4 m -64.03 -44.55 92.18 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.328 -175.467 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -143.11 88.02 2.01 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.101 -0.5 . . . . 0.0 111.14 -176.895 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 48.4 t -75.64 108.72 8.67 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.185 -176.486 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 57.9 p -109.74 -177.7 3.34 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.175 178.999 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 96.3 mt -63.01 -25.96 68.63 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.069 -0.514 . . . . 0.0 111.254 -177.522 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 99.8 m-20 -79.05 -17.41 55.28 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.12 175.609 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 67.8 m-20 -94.85 -13.53 25.43 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.309 178.069 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 56.7 t0 -58.21 126.27 26.79 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.247 172.771 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 161.44 -163.87 34.74 Favored Glycine 0 CA--C 1.523 0.558 0 N-CA-C 111.248 -0.741 . . . . 0.0 111.248 -178.374 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 73.2 m-80 -106.58 110.85 23.16 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.852 0.358 . . . . 0.0 111.072 -175.201 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 80' ' ' TYR . . . . . . . . . . . . . 61.2 m-85 -84.4 69.97 10.59 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.255 177.397 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 88.6 m -65.02 134.39 53.76 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.224 -172.782 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 2.7 tt -109.95 139.11 34.61 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.308 -0.406 . . . . 0.0 111.144 177.595 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 83' ' ' MET . . . . . . . . . . . . . 65.2 ttp -121.47 120.02 33.71 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.22 -176.076 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -90.02 71.64 7.43 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.222 177.673 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -83.39 119.74 25.01 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.246 -0.433 . . . . 0.0 111.194 -176.561 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 86' ' ' ASN . . . . . 0.669 ' HB2' ' CD ' ' A' ' 87' ' ' PRO . 27.5 p-10 -145.04 -179.65 0.99 Allowed Pre-proline 0 C--N 1.328 -0.332 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.084 174.458 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 87' ' ' PRO . . . . . 0.669 ' CD ' ' HB2' ' A' ' 86' ' ' ASN . 54.9 Cg_exo -61.45 -18.46 59.56 Favored 'Trans proline' 0 N--CA 1.456 -0.71 0 C-N-CA 121.728 1.619 . . . . 0.0 111.353 -174.14 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 96.0 mm-40 -100.16 9.95 42.01 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.983 -0.553 . . . . 0.0 111.229 -174.594 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 121.79 -168.37 14.54 Favored Glycine 0 CA--C 1.523 0.586 0 N-CA-C 111.283 -0.727 . . . . 0.0 111.283 178.407 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 40.9 ptt180 -144.92 146.98 32.24 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 120.693 0.282 . . . . 0.0 111.178 -177.799 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 52.3 t -135.23 135.75 51.96 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.388 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.199 176.816 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 73.7 m -103.07 141.12 36.37 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.225 -179.571 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 93' ' ' CYS . . . . . . . . . . . . . 45.9 t -136.02 135.06 39.15 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.295 -0.411 . . . . 0.0 111.362 173.643 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 89.0 m -77.41 125.42 29.31 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.302 -0.408 . . . . 0.0 111.22 -170.887 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -100.54 58.55 0.72 Allowed Glycine 0 CA--C 1.523 0.589 0 N-CA-C 111.158 -0.777 . . . . 0.0 111.158 175.921 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 80.6 ttt180 -58.39 124.58 20.01 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 120.665 0.269 . . . . 0.0 111.364 -173.857 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 58.8 tp -132.16 114.19 14.2 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.077 173.056 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 98' ' ' MET . . . . . . . . . . . . . 98.3 mmm -100.01 140.01 34.85 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.206 179.555 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 85.1 t -115.71 124.04 71.73 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.295 -0.411 . . . . 0.0 111.228 -176.075 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 52.5 tp60 -82.53 120.47 25.54 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 121.062 0.458 . . . . 0.0 111.163 175.305 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -60.02 133.99 56.61 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.102 178.886 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 102' ' ' VAL . . . . . . . . . . . . . 74.4 t -118.37 111.52 34.33 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.237 0 CA-C-N 116.071 -0.513 . . . . 0.0 111.17 178.655 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 99.4 m-20 -72.48 -17.81 61.73 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.293 -0.412 . . . . 0.0 111.073 -174.746 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 104' ' ' GLN . . . . . . . . . . . . . 99.8 mm-40 -89.44 -5.1 57.68 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 116.3 -0.409 . . . . 0.0 111.373 -179.684 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 24.4 tpp180 -69.97 109.97 4.8 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.007 -0.542 . . . . 0.0 111.195 179.01 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . -73.49 -16.9 78.86 Favored Glycine 0 CA--C 1.524 0.624 0 N-CA-C 111.279 -0.728 . . . . 0.0 111.279 -177.429 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 99.8 mtt180 -93.54 -0.14 56.41 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.872 0.367 . . . . 0.0 111.207 -179.57 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 41.4 t . . . . . 1 C--O 0.998 -12.132 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.235 -177.661 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.523 0.579 0 N-CA-C 111.186 -0.766 . . . . 0.0 111.186 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 174.93 -115.04 0.53 Allowed Glycine 0 CA--C 1.522 0.508 0 N-CA-C 111.39 -0.684 . . . . 0.0 111.39 -179.914 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 92.6 p -80.66 -19.88 44.27 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-O 120.706 0.289 . . . . 0.0 111.264 179.606 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 62.5 t30 54.99 44.72 27.77 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.242 -178.109 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -155.05 154.95 33.24 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.089 -0.505 . . . . 0.0 111.257 -179.226 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 86.5 m -140.1 126.5 20.14 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.229 -178.201 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -65.22 144.88 99.12 Favored Pre-proline 0 C--N 1.325 -0.479 0 CA-C-N 116.07 -0.514 . . . . 0.0 111.153 179.021 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 75.3 Cg_exo -54.32 129.83 36.65 Favored 'Trans proline' 0 C--N 1.328 -0.536 0 C-N-CA 121.606 1.537 . . . . 0.0 111.137 -179.896 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 92.3 t80 -155.08 126.39 7.27 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.922 0.391 . . . . 0.0 111.181 172.931 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 66.3 m-85 -66.8 87.9 0.14 Allowed 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.224 -179.113 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 17.2 pt-20 -61.28 -24.93 66.76 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.134 -0.484 . . . . 0.0 111.34 176.146 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 12' ' ' MET . . . . . 0.404 ' O ' ' SG ' ' A' ' 29' ' ' CYS . 67.9 ttp -126.22 109.7 12.62 Favored 'General case' 0 C--N 1.332 -0.172 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.147 170.44 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 98.3 mttt -97.9 168.16 10.47 Favored 'General case' 0 C--O 1.233 0.235 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.229 -170.397 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 76.5 mt -88.72 160.17 17.45 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.233 -177.783 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 99.2 mttt -118.42 167.04 11.94 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.249 178.344 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 20.4 t-160 -65.33 111.27 2.95 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.099 174.704 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 71.8 m-85 -97.28 141.63 30.15 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.294 -0.412 . . . . 0.0 111.335 -175.122 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 96.4 mttt -131.01 102.63 6.12 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.315 -0.402 . . . . 0.0 111.18 177.9 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 47.5 mm -120.75 140.37 45.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.067 -172.017 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 66.4 m-85 -71.73 149.21 45.62 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.225 -177.345 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 88.1 tt0 -54.99 122.76 11.6 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.188 -179.837 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 90.6 -5.65 82.35 Favored Glycine 0 CA--C 1.524 0.599 0 N-CA-C 111.194 -0.762 . . . . 0.0 111.194 174.665 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 26.7 ttt -84.54 134.75 41.87 Favored Pre-proline 0 C--N 1.327 -0.388 0 CA-C-O 120.74 0.305 . . . . 0.0 111.248 -177.34 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 74.2 Cg_endo -70.83 149.31 59.84 Favored 'Trans proline' 0 C--N 1.326 -0.626 0 C-N-CA 121.619 1.546 . . . . 0.0 111.237 175.208 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 9.7 p -151.66 135.27 7.96 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.118 179.332 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 91.0 m -119.57 130.11 54.98 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.164 175.317 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 31.2 p90 -150.12 154.56 38.29 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.281 177.585 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 11.6 t -146.97 158.96 44.07 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.309 -0.405 . . . . 0.0 111.233 -165.35 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 29' ' ' CYS . . . . . 0.423 ' HB3' HD13 ' A' ' 82' ' ' ILE . 2.9 t -141.06 148.73 40.65 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.308 178.429 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 44.3 ttm180 -124.42 136.92 54.43 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.334 -0.393 . . . . 0.0 111.169 -171.805 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 91.2 t -116.5 129.55 72.78 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.417 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.175 -176.748 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -86.49 65.36 9.0 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.46 173.967 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -107.16 154.01 16.71 Favored Glycine 0 CA--C 1.521 0.451 0 N-CA-C 111.175 -0.77 . . . . 0.0 111.175 -174.643 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 34' ' ' ASN . . . . . 0.48 ' HA ' ' HA ' ' A' ' 35' ' ' PRO . 54.1 t-20 -158.07 108.15 1.73 Allowed Pre-proline 0 CA--C 1.51 -0.564 0 CA-C-O 121.067 0.461 . . . . 0.0 110.985 176.87 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 35' ' ' PRO . . . . . 0.48 ' HA ' ' HA ' ' A' ' 34' ' ' ASN . 23.1 Cg_exo -74.63 168.07 78.23 Favored 'Cis proline' 0 C--N 1.327 -0.596 0 C-N-CA 121.588 -2.255 . . . . 0.0 111.13 7.77 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 36' ' ' LYS . . . . . 0.467 ' HD2' ' N ' ' A' ' 36' ' ' LYS . 4.1 mptp? -59.96 117.43 23.4 Favored Pre-proline 0 C--N 1.333 -0.135 0 CA-C-N 115.949 -0.569 . . . . 0.0 111.159 -179.774 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 49.6 Cg_endo -73.63 169.11 23.1 Favored 'Trans proline' 0 N--CA 1.459 -0.53 0 C-N-CA 121.577 1.518 . . . . 0.0 111.204 -173.099 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 99.1 mttt -78.37 85.33 4.5 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.411 178.647 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 39' ' ' ILE . . . . . 0.459 HG12 ' HB2' ' A' ' 84' ' ' ALA . 42.5 mt -82.6 128.27 38.88 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.065 -176.52 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 39.1 p90 -148.51 160.54 42.97 Favored 'General case' 0 C--O 1.233 0.215 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.2 -177.556 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 41' ' ' TRP . . . . . . . . . . . . . 86.3 m95 -102.09 148.3 25.56 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 121.003 0.43 . . . . 0.0 111.09 177.429 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 46.4 p90 -149.84 145.99 26.88 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.002 -0.545 . . . . 0.0 111.223 165.058 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 13.4 tmtt? -110.54 110.04 20.61 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.162 -173.755 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 88.4 m-20 52.3 34.1 14.08 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.306 -0.407 . . . . 0.0 111.155 -177.861 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 98.91 -1.0 57.76 Favored Glycine 0 CA--C 1.527 0.819 0 N-CA-C 111.026 -0.83 . . . . 0.0 111.026 175.878 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 96.9 mttt -100.84 97.42 8.04 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.649 0.261 . . . . 0.0 111.097 -177.607 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 65.9 tt0 -52.92 129.88 31.71 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.202 -178.591 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 88.7 mt -95.03 125.02 47.77 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.237 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.169 -176.79 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 30.3 t -78.07 126.5 83.59 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.099 177.373 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 50.1 Cg_exo -55.19 143.54 74.52 Favored 'Trans proline' 0 N--CA 1.457 -0.662 0 C-N-CA 121.589 1.526 . . . . 0.0 111.241 177.265 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 98.1 mttt 56.41 47.57 18.67 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.301 175.419 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 54.1 p -88.66 -169.82 2.69 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.258 176.474 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 99.3 m-20 -60.09 -39.38 85.91 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.189 -175.783 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 54' ' ' HIS . . . . . . . . . . . . . 100.0 m-70 -133.02 -7.38 3.07 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.07 -0.514 . . . . 0.0 111.282 -171.444 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 55' ' ' TYR . . . . . . . . . . . . . 91.2 m-85 -125.18 105.79 9.41 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 121.114 0.483 . . . . 0.0 111.053 -177.713 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 96.2 m -103.61 124.3 48.55 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.047 -0.524 . . . . 0.0 111.191 178.198 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 93.2 mt -110.94 121.97 64.58 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.244 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.198 -178.706 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 71.7 tp60 -105.03 115.94 31.11 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.203 174.757 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 50.1 mtp180 -104.4 89.57 3.27 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.191 -173.99 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 60' ' ' ASP . . . . . 0.415 ' HB3' ' HB ' ' A' ' 64' ' ' THR . 66.2 t0 -65.23 124.49 22.32 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.323 -0.399 . . . . 0.0 111.166 175.614 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 95.6 mt -69.96 -9.52 55.4 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.154 -173.308 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 97.0 m-20 -69.69 -17.95 63.52 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.361 -0.381 . . . . 0.0 111.104 174.765 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 117.17 28.56 2.37 Favored Glycine 0 CA--C 1.523 0.586 0 N-CA-C 111.087 -0.805 . . . . 0.0 111.087 178.639 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 64' ' ' THR . . . . . 0.415 ' HB ' ' HB3' ' A' ' 60' ' ' ASP . 60.7 m -126.44 137.02 53.36 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-O 120.831 0.348 . . . . 0.0 111.235 179.837 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 65' ' ' CYS . . . . . . . . . . . . . 33.7 t -130.92 126.73 36.87 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.101 -179.201 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 34.2 t -116.85 135.63 53.58 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.229 -176.621 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 60.2 tp -113.16 123.08 49.4 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.103 -0.499 . . . . 0.0 111.112 178.164 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 68.8 t60 -108.93 122.51 47.37 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.277 175.115 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 94.3 m -101.68 124.66 47.69 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.039 173.79 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 85.7 m -69.7 -44.2 70.87 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.006 -0.543 . . . . 0.0 111.178 -176.134 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -144.97 88.93 1.92 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.229 -176.755 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 30.1 t -74.34 80.12 1.86 Allowed 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.965 -178.766 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 66.1 p -83.72 172.29 12.38 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.172 179.331 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 34.2 tp -58.8 -34.89 72.0 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.097 -0.501 . . . . 0.0 111.354 -172.915 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 99.3 m-20 -68.26 -17.95 64.42 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.13 -0.487 . . . . 0.0 111.244 179.458 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 72.6 m-20 -91.64 -3.28 56.53 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.203 -179.82 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 55.3 t0 -63.87 131.3 47.34 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.241 178.662 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 162.2 -161.89 33.83 Favored Glycine 0 CA--C 1.523 0.537 0 N-CA-C 111.241 -0.744 . . . . 0.0 111.241 178.785 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 75.6 m-80 -105.11 105.09 14.98 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 120.848 0.356 . . . . 0.0 111.139 -173.687 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 80' ' ' TYR . . . . . . . . . . . . . 33.5 m-85 -84.2 69.18 10.38 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.132 177.435 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 87.0 m -66.07 132.62 48.96 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.125 -176.535 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 82' ' ' ILE . . . . . 0.423 HD13 ' HB3' ' A' ' 29' ' ' CYS . 13.4 tt -109.92 138.15 38.91 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.372 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.208 176.804 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 83' ' ' MET . . . . . . . . . . . . . 54.7 ttm -132.74 139.81 47.77 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.266 -0.424 . . . . 0.0 111.372 -172.152 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 84' ' ' ALA . . . . . 0.459 ' HB2' HG12 ' A' ' 39' ' ' ILE . . . -119.0 145.98 45.39 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.289 -0.414 . . . . 0.0 111.169 170.702 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -146.94 130.0 16.41 Favored 'General case' 0 C--O 1.234 0.249 0 CA-C-N 116.058 -0.519 . . . . 0.0 111.163 -176.808 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 86' ' ' ASN . . . . . 0.632 ' HB2' ' CD ' ' A' ' 87' ' ' PRO . 37.8 p30 -152.3 177.7 1.82 Allowed Pre-proline 0 C--N 1.328 -0.357 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.13 172.841 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 87' ' ' PRO . . . . . 0.632 ' CD ' ' HB2' ' A' ' 86' ' ' ASN . 75.2 Cg_exo -57.23 -24.98 62.27 Favored 'Trans proline' 0 N--CA 1.456 -0.7 0 C-N-CA 121.8 1.666 . . . . 0.0 111.3 -176.559 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 96.1 mm-40 -89.88 -6.14 56.11 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.023 -0.535 . . . . 0.0 111.225 -171.209 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 144.33 -162.83 27.89 Favored Glycine 0 CA--C 1.521 0.468 0 N-CA-C 111.302 -0.719 . . . . 0.0 111.302 177.547 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 41.3 ptt180 -151.05 162.6 40.54 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.497 0.189 . . . . 0.0 111.278 -179.217 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 12.2 p -157.94 147.76 9.43 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.431 0 CA-C-N 116.345 -0.389 . . . . 0.0 111.062 -179.696 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 99.4 p -135.48 152.35 51.26 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.305 -178.833 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 93' ' ' CYS . . . . . . . . . . . . . 52.9 t -150.07 128.45 12.15 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.204 176.532 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 96.7 m -80.37 118.78 22.31 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.306 -171.433 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -90.67 60.27 3.22 Favored Glycine 0 CA--C 1.524 0.637 0 N-CA-C 111.111 -0.795 . . . . 0.0 111.111 -179.412 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 78.9 ttt180 -49.41 115.1 1.2 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.615 0.245 . . . . 0.0 111.268 -177.224 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 53.9 tp -121.86 105.1 10.05 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.123 175.481 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 98' ' ' MET . . . . . . . . . . . . . 98.7 mmm -95.83 144.95 25.75 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.11 -0.496 . . . . 0.0 111.262 177.415 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 94.4 t -113.26 131.14 65.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.314 -174.612 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 98.8 mm-40 -90.01 108.95 20.03 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.188 174.636 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -59.73 134.76 57.33 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.275 -176.461 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 102' ' ' VAL . . . . . . . . . . . . . 65.3 t -116.75 111.15 33.95 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.292 -179.58 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 97.2 m-20 -85.13 -9.33 58.0 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.078 -177.469 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 104' ' ' GLN . . . . . . . . . . . . . 99.2 mm-40 -85.02 -13.33 50.88 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 116.354 -0.384 . . . . 0.0 111.474 179.583 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 61.0 ttm-85 -75.12 118.62 18.26 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.857 -0.61 . . . . 0.0 111.089 179.605 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . -72.61 -18.51 78.63 Favored Glycine 0 CA--C 1.526 0.77 0 N-CA-C 111.326 -0.71 . . . . 0.0 111.326 -177.619 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 99.8 mtt180 -90.04 -3.94 57.67 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.798 0.332 . . . . 0.0 111.101 179.861 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 42.6 t . . . . . 1 C--O 0.999 -12.088 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.316 -179.801 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.523 0.564 0 N-CA-C 111.22 -0.752 . . . . 0.0 111.22 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 65.05 -125.0 29.34 Favored Glycine 0 CA--C 1.523 0.583 0 N-CA-C 111.341 -0.704 . . . . 0.0 111.341 -179.884 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 47.5 t -137.07 -75.07 0.42 Allowed 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 120.63 0.252 . . . . 0.0 111.08 179.782 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 62.1 t30 55.05 44.91 27.33 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.332 -0.395 . . . . 0.0 111.199 -176.596 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -156.82 155.04 30.84 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.073 -0.512 . . . . 0.0 111.165 -179.001 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 86.1 m -137.57 129.88 29.39 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.235 -0.438 . . . . 0.0 111.168 -178.241 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -61.07 153.79 64.55 Favored Pre-proline 0 C--N 1.326 -0.438 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.063 -179.26 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 36.2 Cg_endo -64.3 146.05 89.44 Favored 'Trans proline' 0 N--CA 1.458 -0.566 0 C-N-CA 121.686 1.59 . . . . 0.0 111.208 179.596 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 87.0 t80 -162.99 139.97 7.58 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.102 -177.259 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 71.8 m-85 -89.91 98.2 11.63 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.218 175.91 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 14.6 pt-20 -69.42 -20.04 63.79 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.013 -0.54 . . . . 0.0 111.298 175.379 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 67.4 ttp -136.34 113.63 10.71 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.192 169.588 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 98.1 mttt -100.39 166.56 10.89 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.276 -169.504 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 89.2 mt -83.45 170.25 14.67 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.236 177.93 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 64.0 pttt -135.02 -179.65 5.75 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.173 175.931 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 18.0 t-160 -73.74 108.91 6.85 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.086 -0.506 . . . . 0.0 111.273 176.278 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 76.9 m-85 -97.32 145.14 26.4 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.845 0.355 . . . . 0.0 111.168 -176.657 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 99.1 mttt -134.59 138.87 44.93 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.112 -0.495 . . . . 0.0 111.274 176.611 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 9.8 tp -148.47 151.59 13.14 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.218 -177.811 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 66.8 m-85 -78.48 146.03 34.65 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.292 -0.413 . . . . 0.0 111.27 172.867 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 87.7 tt0 -53.72 124.61 15.67 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.169 -178.433 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 102.03 -15.78 56.32 Favored Glycine 0 CA--C 1.525 0.683 0 N-CA-C 111.197 -0.761 . . . . 0.0 111.197 171.791 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 98.0 mmm -84.82 153.82 60.93 Favored Pre-proline 0 C--N 1.33 -0.261 0 CA-C-O 120.856 0.36 . . . . 0.0 111.291 -175.672 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 72.6 Cg_endo -75.36 153.08 39.82 Favored 'Trans proline' 0 N--CA 1.458 -0.604 0 C-N-CA 121.643 1.562 . . . . 0.0 111.19 179.56 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 46.2 t -135.22 127.35 47.26 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.039 179.238 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 92.4 m -121.48 126.46 49.3 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.956 178.895 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 31.1 p90 -153.22 158.51 41.82 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 116.09 -0.504 . . . . 0.0 111.088 174.563 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 9.8 t -149.78 159.66 44.18 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.153 -170.524 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 29.9 t -145.95 148.81 33.17 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.211 -178.576 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 78.8 ttt180 -129.09 138.47 51.86 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.333 -0.394 . . . . 0.0 111.12 -172.86 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 28.1 m -115.27 159.63 15.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.088 -0.506 . . . . 0.0 111.224 -176.016 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -145.0 77.96 1.55 Allowed 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.183 178.809 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -124.77 -171.92 13.43 Favored Glycine 0 CA--C 1.521 0.422 0 N-CA-C 111.34 -0.704 . . . . 0.0 111.34 177.295 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 34' ' ' ASN . . . . . 0.498 ' HA ' ' HA ' ' A' ' 35' ' ' PRO . 54.0 t-20 -156.88 106.24 1.94 Allowed Pre-proline 0 CA--C 1.51 -0.579 0 CA-C-O 121.34 0.59 . . . . 0.0 110.964 179.076 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 35' ' ' PRO . . . . . 0.498 ' HA ' ' HA ' ' A' ' 34' ' ' ASN . 27.5 Cg_exo -68.78 157.17 89.46 Favored 'Cis proline' 0 N--CA 1.457 -0.623 0 C-N-CA 121.587 -2.255 . . . . 0.0 111.136 3.892 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 98.6 mttt -58.61 132.03 85.66 Favored Pre-proline 0 C--N 1.331 -0.233 0 CA-C-N 116.032 -0.531 . . . . 0.0 111.081 -179.434 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 37' ' ' PRO . . . . . 0.618 ' HA ' ' HB3' ' A' ' 86' ' ' ASN . 77.2 Cg_exo -56.17 141.06 88.11 Favored 'Trans proline' 0 N--CA 1.459 -0.539 0 C-N-CA 121.527 1.485 . . . . 0.0 111.204 -175.315 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 99.3 mttt -85.13 87.46 7.38 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.263 172.977 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 81.0 mt -53.69 123.96 5.49 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.224 0 CA-C-N 116.134 -0.484 . . . . 0.0 111.232 -172.563 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 80.5 m-85 -116.94 144.9 44.01 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.288 170.971 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 41' ' ' TRP . . . . . . . . . . . . . 94.8 m95 -114.25 140.0 48.94 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 121.033 0.444 . . . . 0.0 111.113 176.887 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 39.6 p90 -152.68 146.09 24.86 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 115.975 -0.557 . . . . 0.0 111.271 169.59 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 13.0 tmtt? -110.08 110.05 20.81 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.243 -174.752 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 93.8 m-20 53.84 33.54 17.3 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.119 -176.124 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 96.22 -0.7 62.17 Favored Glycine 0 CA--C 1.524 0.656 0 N-CA-C 111.205 -0.758 . . . . 0.0 111.205 176.643 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 96.9 mttt -94.85 100.03 11.98 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.9 0.381 . . . . 0.0 111.208 -178.726 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 66.4 tt0 -50.98 129.13 23.08 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.291 -0.413 . . . . 0.0 111.177 -178.111 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 95.6 mt -99.11 124.01 52.11 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.181 -178.132 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 49' ' ' SER . . . . . 0.413 ' HA ' ' HD3' ' A' ' 50' ' ' PRO . 30.5 t -90.0 136.62 28.79 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-N 116.296 -0.411 . . . . 0.0 111.127 174.82 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 50' ' ' PRO . . . . . 0.413 ' HD3' ' HA ' ' A' ' 49' ' ' SER . 53.6 Cg_exo -54.9 136.82 73.94 Favored 'Trans proline' 0 N--CA 1.457 -0.623 0 C-N-CA 121.551 1.501 . . . . 0.0 111.244 178.59 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 97.8 mttt 59.04 57.66 3.45 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.318 -0.401 . . . . 0.0 111.296 177.741 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 13.4 t -94.99 -161.76 0.89 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.136 -0.483 . . . . 0.0 111.152 178.883 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 99.4 m-20 -54.87 -45.72 74.65 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-O 121.046 0.45 . . . . 0.0 111.274 -177.801 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 54' ' ' HIS . . . . . . . . . . . . . 99.0 m-70 -136.73 -5.26 1.97 Allowed 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.199 178.996 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 55' ' ' TYR . . . . . . . . . . . . . 22.0 m-30 -106.07 95.25 5.65 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.077 -173.254 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 97.9 m -98.3 124.8 43.13 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.267 -179.242 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 96.7 mt -110.15 124.75 67.16 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-O 120.921 0.391 . . . . 0.0 111.137 179.975 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 85.1 mt-30 -111.16 136.27 50.47 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.115 173.256 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 94.1 mtt-85 -118.46 105.74 11.98 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.141 -172.127 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 67.8 t0 -84.41 122.25 28.7 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.286 171.32 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 95.1 mt -66.52 -12.29 56.84 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.112 -171.353 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 95.5 m-20 -64.98 -21.6 66.87 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.939 0.4 . . . . 0.0 111.17 177.493 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 123.16 18.93 3.02 Favored Glycine 0 CA--C 1.523 0.547 0 N-CA-C 111.136 -0.785 . . . . 0.0 111.136 -179.855 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 61.4 m -119.55 139.95 51.32 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-O 120.748 0.309 . . . . 0.0 111.315 -179.714 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 65' ' ' CYS . . . . . . . . . . . . . 36.4 t -135.05 134.14 40.07 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.104 176.706 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 32.3 t -114.97 135.78 53.85 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.261 -176.967 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 64.2 tp -114.9 119.66 37.32 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.093 -0.503 . . . . 0.0 111.097 177.952 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 82.5 t60 -111.74 126.05 54.64 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.272 -178.424 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 97.4 m -98.04 115.09 27.51 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.016 -0.538 . . . . 0.0 111.149 171.114 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 82.7 m -61.94 -44.74 96.13 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.29 -175.337 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -143.42 88.35 2.0 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.221 -177.096 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 48.0 t -75.0 107.2 6.91 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.155 -176.074 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 60.4 p -106.67 -178.96 3.8 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.163 -0.472 . . . . 0.0 111.131 178.968 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 96.5 mt -62.65 -25.45 68.13 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.335 -178.469 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 99.4 m-20 -78.27 -19.76 52.99 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.096 175.131 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 68.5 m-20 -92.63 -13.76 29.1 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.191 178.007 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 57.2 t0 -57.97 126.81 29.06 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.158 171.983 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 160.26 -164.47 34.43 Favored Glycine 0 CA--C 1.524 0.64 0 N-CA-C 111.189 -0.764 . . . . 0.0 111.189 -178.679 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 74.1 m-80 -105.81 109.38 21.32 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.91 0.386 . . . . 0.0 111.163 -173.897 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 80' ' ' TYR . . . . . . . . . . . . . 52.8 m-85 -83.77 70.06 10.3 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.208 177.351 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 85.6 m -65.83 135.08 54.38 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.169 -172.549 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 4.1 tt -109.88 139.97 30.79 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.061 177.729 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 83' ' ' MET . . . . . . . . . . . . . 63.5 ttp -119.76 121.16 38.55 Favored 'General case' 0 C--O 1.234 0.256 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.252 -175.738 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -88.82 65.5 7.67 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.319 -0.4 . . . . 0.0 111.085 177.571 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -76.51 124.59 27.82 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.255 -175.469 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 86' ' ' ASN . . . . . 0.618 ' HB3' ' HA ' ' A' ' 37' ' ' PRO . 30.7 p30 -150.73 177.79 1.74 Allowed Pre-proline 0 C--N 1.329 -0.313 0 CA-C-N 116.088 -0.505 . . . . 0.0 111.118 173.076 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 87' ' ' PRO . . . . . 0.615 ' CD ' ' HB2' ' A' ' 86' ' ' ASN . 75.6 Cg_exo -58.29 -24.96 70.39 Favored 'Trans proline' 0 N--CA 1.458 -0.604 0 C-N-CA 121.76 1.64 . . . . 0.0 111.201 -174.909 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 98.7 mm-40 -93.52 -4.95 50.14 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.068 -0.515 . . . . 0.0 111.259 -170.824 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 142.01 -157.73 26.52 Favored Glycine 0 CA--C 1.524 0.625 0 N-CA-C 111.287 -0.725 . . . . 0.0 111.287 179.711 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 40.3 ptt180 -150.81 149.95 30.36 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.75 0.309 . . . . 0.0 111.115 177.673 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 60.2 t -128.81 134.45 64.36 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.341 -0.39 . . . . 0.0 111.146 175.739 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 29.4 t -106.67 131.27 54.0 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.235 -0.438 . . . . 0.0 111.386 -177.854 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 93' ' ' CYS . . . . . . . . . . . . . 52.6 t -132.93 130.73 39.98 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.304 -0.407 . . . . 0.0 111.301 174.773 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 85.3 m -77.46 129.33 35.6 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.324 -171.761 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -100.52 55.39 0.83 Allowed Glycine 0 CA--C 1.524 0.633 0 N-CA-C 111.182 -0.767 . . . . 0.0 111.182 177.044 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 79.9 ttt180 -53.24 116.55 2.47 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.657 0.265 . . . . 0.0 111.327 -176.781 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 58.3 tp -125.18 112.3 16.28 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.305 -0.407 . . . . 0.0 111.155 171.42 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 98' ' ' MET . . . . . . . . . . . . . 98.7 mmm -97.86 140.72 31.8 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.152 179.621 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 84.0 t -116.93 124.01 72.46 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.082 -176.673 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 52.2 tp60 -82.56 121.02 26.26 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.062 -0.517 . . . . 0.0 111.096 175.805 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -60.66 133.92 56.57 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.155 178.944 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 102' ' ' VAL . . . . . . . . . . . . . 83.0 t -117.84 112.95 40.77 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.218 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.157 178.865 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 99.4 m-20 -71.84 -18.96 62.04 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.094 -0.503 . . . . 0.0 111.182 -174.882 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 104' ' ' GLN . . . . . . . . . . . . . 99.8 mm-40 -88.88 -4.93 58.33 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.436 -179.751 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 24.4 tpp180 -69.96 110.06 4.84 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 115.962 -0.563 . . . . 0.0 111.276 179.493 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . -72.12 -14.75 76.46 Favored Glycine 0 CA--C 1.524 0.644 0 N-CA-C 111.38 -0.688 . . . . 0.0 111.38 -176.496 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 99.8 mtt180 -89.51 0.27 57.01 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.795 0.331 . . . . 0.0 111.111 -179.359 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 72.3 m . . . . . 1 C--O 0.999 -12.084 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.24 177.792 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.523 0.54 0 N-CA-C 111.244 -0.742 . . . . 0.0 111.244 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 74.43 -114.0 4.29 Favored Glycine 0 CA--C 1.524 0.609 0 N-CA-C 111.276 -0.73 . . . . 0.0 111.276 179.818 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 41.4 t -158.14 128.86 6.32 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.629 0.252 . . . . 0.0 111.217 179.364 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 62.2 t30 55.09 44.96 27.12 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.322 -0.399 . . . . 0.0 111.087 -177.872 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -154.99 155.05 33.5 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.117 -178.196 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 87.1 m -138.68 129.97 27.15 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.241 -178.771 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -62.84 151.99 83.78 Favored Pre-proline 0 C--N 1.325 -0.478 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.207 -179.189 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 34.7 Cg_endo -63.59 144.83 90.8 Favored 'Trans proline' 0 C--N 1.328 -0.551 0 C-N-CA 121.664 1.576 . . . . 0.0 111.166 179.335 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 86.6 t80 -161.42 139.99 9.67 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-O 121.086 0.47 . . . . 0.0 111.121 -176.477 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 83.3 m-85 -91.49 99.83 12.7 Favored 'General case' 0 C--N 1.332 -0.175 0 CA-C-N 116.041 -0.527 . . . . 0.0 111.111 175.971 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 21.7 pt-20 -77.42 -13.83 59.84 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.269 175.979 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 12' ' ' MET . . . . . 0.414 ' HB3' ' HB3' ' A' ' 30' ' ' ARG . 66.1 ttp -141.23 108.45 5.5 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.309 167.285 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 99.6 mttt -93.9 173.85 7.46 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.277 -172.662 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 92.3 mt -89.7 155.5 19.17 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.222 177.584 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 97.7 mttt -115.0 179.14 4.03 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.234 176.314 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 22.8 t-160 -73.93 111.82 9.46 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.183 173.401 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 94.5 m-85 -97.41 144.14 27.45 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.38 -0.373 . . . . 0.0 111.23 -175.713 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 98.4 mttt -125.63 115.42 20.11 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.285 178.691 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 3.8 mp -125.14 138.82 53.05 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.073 -0.512 . . . . 0.0 111.182 -170.639 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 8.8 m-30 -69.65 138.7 53.24 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.081 172.917 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 41.6 tt0 -55.12 119.01 4.84 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.074 -0.512 . . . . 0.0 111.116 179.067 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 95.08 -5.37 68.43 Favored Glycine 0 CA--C 1.523 0.579 0 N-CA-C 111.239 -0.744 . . . . 0.0 111.239 175.662 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 56.9 ttp -89.78 138.38 27.99 Favored Pre-proline 0 C--N 1.328 -0.343 0 CA-C-O 120.678 0.275 . . . . 0.0 111.335 -176.695 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 57.8 Cg_endo -66.48 150.42 84.18 Favored 'Trans proline' 0 C--N 1.327 -0.593 0 C-N-CA 121.588 1.525 . . . . 0.0 111.287 174.466 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 8.4 p -149.6 134.79 10.6 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.089 179.106 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 89.0 m -114.58 130.12 56.74 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.153 177.504 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 25.0 p90 -146.71 154.01 40.93 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.093 -0.503 . . . . 0.0 111.172 177.831 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 11.4 t -149.4 158.9 44.58 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.256 -166.538 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 36.6 t -147.39 148.9 31.79 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.326 -0.397 . . . . 0.0 111.265 -179.468 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 30' ' ' ARG . . . . . 0.414 ' HB3' ' HB3' ' A' ' 12' ' ' MET . 76.3 ttt180 -127.81 137.55 52.42 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 120.886 0.375 . . . . 0.0 111.143 -170.978 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 28.1 m -120.37 162.34 19.05 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.241 -176.136 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -145.01 80.96 1.63 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.339 177.729 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -120.97 -175.91 15.31 Favored Glycine 0 CA--C 1.521 0.457 0 N-CA-C 111.262 -0.735 . . . . 0.0 111.262 176.25 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 34' ' ' ASN . . . . . 0.496 ' HA ' ' HA ' ' A' ' 35' ' ' PRO . 54.1 t-20 -156.48 106.19 2.01 Favored Pre-proline 0 CA--C 1.511 -0.556 0 CA-C-O 121.142 0.496 . . . . 0.0 110.987 177.56 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 35' ' ' PRO . . . . . 0.496 ' HA ' ' HA ' ' A' ' 34' ' ' ASN . 27.7 Cg_exo -68.77 157.52 89.03 Favored 'Cis proline' 0 N--CA 1.458 -0.589 0 C-N-CA 121.5 -2.292 . . . . 0.0 111.255 4.158 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 36' ' ' LYS . . . . . 0.413 ' HA ' ' HD3' ' A' ' 37' ' ' PRO . 98.3 mttt -63.97 135.01 96.12 Favored Pre-proline 0 C--N 1.331 -0.215 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.047 -177.168 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 37' ' ' PRO . . . . . 0.564 ' HA ' ' HB3' ' A' ' 86' ' ' ASN . 74.1 Cg_exo -56.43 143.64 86.37 Favored 'Trans proline' 0 N--CA 1.458 -0.581 0 C-N-CA 121.704 1.603 . . . . 0.0 111.226 -176.145 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 99.2 mttt -86.91 75.02 9.63 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.378 171.73 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 75.8 mt -40.97 124.99 0.46 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.084 -172.179 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 83.4 m-85 -114.08 144.85 42.45 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.238 170.956 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 41' ' ' TRP . . . . . . . . . . . . . 92.1 m95 -114.36 136.87 52.51 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.093 176.631 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 37.0 p90 -154.11 147.09 24.5 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.199 171.493 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 12.7 tmtt? -109.98 110.03 20.82 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.101 -175.812 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 87.4 m-20 52.65 32.93 12.69 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.19 -176.327 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 98.18 -0.91 58.89 Favored Glycine 0 CA--C 1.523 0.586 0 N-CA-C 111.185 -0.766 . . . . 0.0 111.185 176.603 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 97.0 mttt -95.05 99.98 11.89 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.804 0.335 . . . . 0.0 111.062 -178.447 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 66.0 tt0 -54.57 131.33 42.73 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.338 -0.392 . . . . 0.0 111.202 -176.603 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 92.8 mt -110.8 118.19 56.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.352 -0.386 . . . . 0.0 111.177 177.757 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 88.7 p -89.84 154.23 47.71 Favored Pre-proline 0 C--N 1.328 -0.355 0 CA-C-N 116.336 -0.393 . . . . 0.0 111.273 178.063 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 46.4 Cg_exo -59.43 143.04 99.82 Favored 'Trans proline' 0 N--CA 1.459 -0.547 0 C-N-CA 121.622 1.548 . . . . 0.0 111.231 178.676 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 97.9 mttt 55.01 46.57 23.99 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.324 174.975 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 51.9 p -80.02 -170.16 2.34 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.309 -0.405 . . . . 0.0 111.224 177.317 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 98.7 m-20 -66.67 -33.27 75.28 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.13 -176.756 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 54' ' ' HIS . . . . . . . . . . . . . 98.7 m-70 -129.98 -6.85 4.44 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.008 -0.542 . . . . 0.0 111.33 -171.396 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 55' ' ' TYR . . . . . . . . . . . . . 82.3 m-85 -131.75 149.96 52.31 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.099 -176.61 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 84.8 m -134.88 130.73 36.4 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.112 175.272 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 92.2 mt -113.63 125.76 70.97 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.4 0 CA-C-N 116.285 -0.416 . . . . 0.0 111.01 -178.208 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 98.1 mm-40 -110.04 142.06 42.0 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.21 172.728 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 94.8 mtt-85 -121.21 102.42 8.29 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.179 -173.419 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 60' ' ' ASP . . . . . 0.401 ' HB3' ' HB ' ' A' ' 64' ' ' THR . 68.1 t0 -78.76 122.63 26.27 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.191 171.738 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 95.2 mt -67.06 -12.21 59.29 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.189 -171.592 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 95.5 m-20 -65.03 -21.56 66.86 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.291 -0.413 . . . . 0.0 111.061 176.864 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 122.46 20.77 2.87 Favored Glycine 0 CA--C 1.524 0.648 0 N-CA-C 111.066 -0.814 . . . . 0.0 111.066 -179.557 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 64' ' ' THR . . . . . 0.401 ' HB ' ' HB3' ' A' ' 60' ' ' ASP . 59.4 m -120.1 140.03 51.68 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 120.709 0.29 . . . . 0.0 111.247 -179.588 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 65' ' ' CYS . . . . . . . . . . . . . 28.8 t -134.57 134.97 41.92 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.067 177.548 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 41.0 t -118.79 129.63 55.35 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.279 -0.419 . . . . 0.0 111.106 -174.291 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 60.0 tp -107.72 121.6 45.04 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.085 -0.507 . . . . 0.0 111.136 176.609 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 74.6 t60 -110.0 129.99 55.6 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.245 179.654 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 87.0 m -102.7 126.66 49.89 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.171 173.488 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 88.9 m -69.9 -45.0 68.54 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.235 -176.148 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -144.95 90.19 2.03 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.289 -0.414 . . . . 0.0 111.178 -177.833 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 34.8 t -80.03 92.67 5.63 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.14 -176.649 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 67.5 p -90.73 177.54 6.3 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.103 178.472 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 86.6 mt -60.32 -30.24 69.37 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.103 -0.499 . . . . 0.0 111.324 179.278 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 99.0 m-20 -72.31 -17.5 61.85 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.083 -0.508 . . . . 0.0 111.217 176.672 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 68.9 m-20 -96.85 -0.18 48.25 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.288 -0.415 . . . . 0.0 111.197 178.148 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 59.1 t0 -69.01 131.46 45.09 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.356 176.397 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 160.77 -163.13 33.99 Favored Glycine 0 CA--C 1.523 0.561 0 N-CA-C 111.244 -0.742 . . . . 0.0 111.244 -179.565 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 75.3 m-20 -104.03 106.49 17.01 Favored 'General case' 0 C--O 1.234 0.285 0 CA-C-O 120.873 0.368 . . . . 0.0 111.148 -174.549 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 80' ' ' TYR . . . . . . . . . . . . . 44.9 m-85 -81.31 69.96 8.05 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.299 177.23 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 91.1 m -64.98 134.91 54.94 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.251 -171.002 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 82' ' ' ILE . . . . . 0.434 HG23 ' HB3' ' A' ' 93' ' ' CYS . 3.2 tt -109.93 140.02 30.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.118 176.808 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 83' ' ' MET . . . . . . . . . . . . . 64.7 ttp -120.0 119.96 34.92 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.222 -175.048 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -86.46 77.17 9.49 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-O 120.987 0.422 . . . . 0.0 111.182 173.867 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -88.6 121.93 31.5 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.238 -176.276 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 86' ' ' ASN . . . . . 0.599 ' HB2' ' CD ' ' A' ' 87' ' ' PRO . 30.3 p30 -146.89 177.42 1.77 Allowed Pre-proline 0 C--N 1.328 -0.335 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.13 173.116 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 87' ' ' PRO . . . . . 0.599 ' CD ' ' HB2' ' A' ' 86' ' ' ASN . 77.8 Cg_exo -58.21 -24.9 69.47 Favored 'Trans proline' 0 N--CA 1.455 -0.758 0 C-N-CA 121.709 1.606 . . . . 0.0 111.297 -175.586 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 98.0 mm-40 -90.8 -5.08 56.1 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.057 -171.71 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 139.91 -170.97 24.06 Favored Glycine 0 CA--C 1.522 0.517 0 N-CA-C 111.353 -0.699 . . . . 0.0 111.353 175.81 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 98.7 mtt180 -129.99 144.99 51.63 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 120.573 0.225 . . . . 0.0 111.221 -178.867 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 56.3 t -134.26 128.3 52.01 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.224 176.569 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 30.8 t -101.17 139.26 37.1 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.37 -178.678 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 93' ' ' CYS . . . . . 0.434 ' HB3' HG23 ' A' ' 82' ' ' ILE . 52.4 t -135.93 129.12 31.73 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.314 172.991 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 85.1 m -72.02 128.81 36.88 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.153 -172.599 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -102.17 58.69 0.6 Allowed Glycine 0 CA--C 1.525 0.663 0 N-CA-C 111.124 -0.79 . . . . 0.0 111.124 176.262 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 80.1 ttt180 -54.26 110.12 0.57 Allowed 'General case' 0 C--N 1.327 -0.413 0 CA-C-O 120.714 0.292 . . . . 0.0 111.191 -176.538 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 3.1 mp -114.29 106.51 14.42 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.318 170.818 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 98' ' ' MET . . . . . . . . . . . . . 63.9 ttp -96.82 130.88 44.02 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.077 -0.51 . . . . 0.0 111.054 179.131 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 77.6 t -113.21 138.28 43.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.313 -176.107 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 65.7 tt0 -125.54 133.65 52.25 Favored 'General case' 0 N--CA 1.454 -0.236 0 CA-C-O 121.033 0.444 . . . . 0.0 111.326 -179.061 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -69.6 131.12 44.15 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.191 174.362 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 102' ' ' VAL . . . . . . . . . . . . . 91.1 t -130.44 122.08 52.38 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.254 -175.945 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 99.3 m-20 -67.37 -25.45 65.98 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.09 -0.505 . . . . 0.0 111.088 -173.998 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 104' ' ' GLN . . . . . . . . . . . . . 99.8 mm-40 -85.43 -4.95 59.32 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.306 -179.856 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 29.8 tpt180 -94.02 119.93 33.58 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.045 -0.525 . . . . 0.0 111.22 178.168 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . -67.68 -26.08 73.85 Favored Glycine 0 CA--C 1.525 0.701 0 N-CA-C 111.424 -0.67 . . . . 0.0 111.424 -173.625 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 99.6 mtt180 -92.27 -0.31 57.41 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 120.678 0.275 . . . . 0.0 111.199 -177.961 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 35.1 t . . . . . 1 C--O 0.999 -12.09 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.218 179.809 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.523 0.531 0 N-CA-C 111.239 -0.744 . . . . 0.0 111.239 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 84.06 -152.6 28.52 Favored Glycine 0 CA--C 1.522 0.472 0 N-CA-C 111.409 -0.676 . . . . 0.0 111.409 -172.87 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 48.4 t -138.91 -75.04 0.38 Allowed 'General case' 0 C--N 1.327 -0.408 0 CA-C-O 120.72 0.295 . . . . 0.0 111.222 175.792 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 95.9 m-20 52.48 29.41 7.02 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.029 -176.561 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -174.97 173.53 2.66 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.102 -173.639 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 95.1 m -72.08 125.75 28.05 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.013 -0.54 . . . . 0.0 111.221 174.225 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -65.04 145.0 99.18 Favored Pre-proline 0 C--N 1.327 -0.383 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.265 -173.652 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 51.6 Cg_endo -67.21 120.81 7.89 Favored 'Trans proline' 0 N--CA 1.458 -0.602 0 C-N-CA 121.617 1.544 . . . . 0.0 111.206 178.302 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 91.7 t80 -162.13 137.68 7.39 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.102 179.61 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 65.6 m-85 -80.65 114.13 19.33 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.156 -179.862 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 22.9 pt-20 -78.87 -14.72 59.08 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.034 171.255 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 67.5 ttp -137.09 115.99 12.3 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.083 167.879 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 97.1 mttt -102.34 164.9 11.42 Favored 'General case' 0 C--N 1.332 -0.155 0 CA-C-N 116.03 -0.532 . . . . 0.0 111.147 -171.417 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 96.1 mt -80.95 150.14 29.08 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.248 -179.95 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 97.5 mttt -115.06 -179.06 3.52 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.241 179.228 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 22.1 t-160 -75.09 113.18 12.12 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.275 173.905 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 63.1 m-85 -105.83 148.3 27.7 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.411 -0.359 . . . . 0.0 111.33 -175.947 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 99.2 mttt -134.34 139.74 45.87 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.197 177.696 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 10.9 tp -149.85 149.92 14.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.189 -178.813 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 56.0 m-85 -77.93 146.33 35.6 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.277 -0.419 . . . . 0.0 111.292 178.194 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 39.8 tt0 -55.08 120.63 7.25 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.11 -0.496 . . . . 0.0 111.062 -177.0 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 98.79 -14.51 61.67 Favored Glycine 0 CA--C 1.523 0.578 0 N-CA-C 111.113 -0.795 . . . . 0.0 111.113 173.09 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 98.0 mmm -85.22 153.25 59.34 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 120.852 0.358 . . . . 0.0 111.266 -176.825 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 86.4 Cg_endo -75.52 152.74 38.76 Favored 'Trans proline' 0 N--CA 1.459 -0.546 0 C-N-CA 121.764 1.643 . . . . 0.0 111.179 177.883 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 9.1 p -152.42 134.96 6.45 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.134 176.395 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 88.2 m -120.27 135.41 55.01 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.212 -178.949 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 23.7 p90 -151.5 152.27 32.76 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 116.337 -0.392 . . . . 0.0 111.198 174.921 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 9.5 t -146.95 157.49 43.65 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.087 -0.506 . . . . 0.0 111.228 -164.688 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 1.8 t -143.28 153.11 42.44 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.242 -179.203 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 54.2 ttt85 -133.28 130.63 39.2 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.318 -0.401 . . . . 0.0 111.138 -169.526 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 85.2 t -108.46 134.88 49.01 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.101 -0.5 . . . . 0.0 111.234 -176.144 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -93.79 64.98 3.54 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.215 173.916 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -107.6 163.02 13.1 Favored Glycine 0 CA--C 1.521 0.452 0 N-CA-C 111.369 -0.692 . . . . 0.0 111.369 -178.781 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 34' ' ' ASN . . . . . 0.45 ' HA ' ' HA ' ' A' ' 35' ' ' PRO . 60.1 t-20 -168.25 101.71 0.55 Allowed Pre-proline 0 CA--C 1.51 -0.566 0 CA-C-O 121.093 0.473 . . . . 0.0 110.979 177.17 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 35' ' ' PRO . . . . . 0.45 ' HA ' ' HA ' ' A' ' 34' ' ' ASN . 58.6 Cg_endo -71.94 169.84 68.91 Favored 'Cis proline' 0 N--CA 1.457 -0.649 0 C-N-CA 121.36 -2.35 . . . . 0.0 111.403 1.404 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 36' ' ' LYS . . . . . 0.459 ' HA ' ' HD3' ' A' ' 37' ' ' PRO . 72.3 mmtt -67.93 135.1 91.93 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.156 -179.848 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 37' ' ' PRO . . . . . 0.459 ' HD3' ' HA ' ' A' ' 36' ' ' LYS . 31.9 Cg_exo -64.47 177.9 1.92 Allowed 'Trans proline' 0 N--CA 1.459 -0.516 0 C-N-CA 121.544 1.496 . . . . 0.0 111.238 177.947 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 98.8 mttt -84.72 80.01 9.41 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.459 174.724 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 60.1 mt -77.77 132.92 31.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.038 -171.924 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 37.9 p90 -149.43 164.88 33.75 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.306 178.946 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 41' ' ' TRP . . . . . . . . . . . . . 74.8 m95 -109.11 151.59 26.21 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 121.083 0.468 . . . . 0.0 111.123 178.973 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 38.9 p90 -152.88 145.75 24.44 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.059 -0.519 . . . . 0.0 111.235 166.323 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 13.3 tmtt? -110.04 109.93 20.67 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.049 -0.523 . . . . 0.0 111.265 -175.642 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 89.8 m-20 53.0 33.37 14.62 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.11 -176.294 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 98.98 -3.32 58.51 Favored Glycine 0 CA--C 1.524 0.64 0 N-CA-C 111.152 -0.779 . . . . 0.0 111.152 176.296 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 97.0 mttt -95.35 99.9 11.76 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-O 120.697 0.284 . . . . 0.0 111.131 -177.591 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 66.0 tt0 -51.94 130.04 28.45 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.381 -0.372 . . . . 0.0 111.214 -177.683 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 97.9 mt -98.36 124.95 51.76 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.148 -176.911 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 49' ' ' SER . . . . . 0.426 ' HA ' ' HD3' ' A' ' 50' ' ' PRO . 30.5 t -85.49 132.1 45.8 Favored Pre-proline 0 C--N 1.328 -0.342 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.239 174.127 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 50' ' ' PRO . . . . . 0.426 ' HD3' ' HA ' ' A' ' 49' ' ' SER . 57.0 Cg_exo -54.5 137.41 72.69 Favored 'Trans proline' 0 N--CA 1.458 -0.592 0 C-N-CA 121.731 1.62 . . . . 0.0 111.164 178.366 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 97.6 mttt 59.69 58.09 2.98 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.302 178.108 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 13.1 t -94.96 -160.86 0.81 Allowed 'General case' 0 C--O 1.234 0.265 0 CA-C-N 116.06 -0.518 . . . . 0.0 111.166 178.63 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 99.6 m-20 -55.08 -45.33 75.39 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.346 -0.388 . . . . 0.0 111.175 -178.055 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 54' ' ' HIS . . . . . . . . . . . . . 99.5 m-70 -136.32 -6.5 2.03 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.09 -0.505 . . . . 0.0 111.351 178.645 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 55' ' ' TYR . . . . . . . . . . . . . 21.9 m-30 -103.03 92.62 4.62 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.269 -173.397 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 97.3 m -97.71 120.3 37.85 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.123 -0.489 . . . . 0.0 111.155 -179.297 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 96.8 mt -105.79 123.44 60.28 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.137 -179.067 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 64.8 tt0 -104.97 119.1 38.18 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.146 173.857 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 62.7 ttm-85 -102.81 90.26 3.74 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.185 -175.167 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 67.0 t0 -71.29 119.93 16.13 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 120.928 0.395 . . . . 0.0 111.181 172.904 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 95.6 mt -68.82 -10.83 59.01 Favored 'General case' 0 C--O 1.236 0.347 0 CA-C-N 116.051 -0.522 . . . . 0.0 111.233 -171.456 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 17.9 t70 -67.73 -19.84 65.18 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.382 -0.372 . . . . 0.0 111.188 176.039 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 123.67 17.21 3.2 Favored Glycine 0 CA--C 1.524 0.613 0 N-CA-C 111.023 -0.831 . . . . 0.0 111.023 176.398 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 95.6 m -114.93 126.12 54.42 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-O 120.802 0.335 . . . . 0.0 111.253 -179.087 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 65' ' ' CYS . . . . . . . . . . . . . 76.7 m -115.77 124.92 51.98 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.125 176.228 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 34.7 t -115.38 132.66 56.55 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.079 -0.51 . . . . 0.0 111.169 -177.047 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 68.4 tp -112.43 119.87 39.71 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.081 -0.508 . . . . 0.0 111.139 177.056 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 63.5 t60 -108.25 125.11 51.29 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.364 -0.38 . . . . 0.0 111.294 176.788 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 92.2 m -101.08 115.59 30.84 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.054 172.513 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 83.6 m -64.99 -43.45 92.54 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.257 -175.201 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -142.12 87.61 2.04 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.051 -0.522 . . . . 0.0 111.045 -176.874 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 46.6 t -80.08 105.78 11.61 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.186 -177.686 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 47.7 p -105.9 -179.86 4.06 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.221 -179.903 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 96.4 mt -60.81 -28.24 68.64 Favored 'General case' 0 C--N 1.333 -0.143 0 CA-C-N 116.101 -0.5 . . . . 0.0 111.273 -178.559 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 98.7 m-20 -76.76 -17.9 58.78 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.052 176.063 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 67.4 m-20 -94.82 -16.16 23.17 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.27 178.192 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 57.7 t0 -54.88 128.8 34.85 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.305 -0.407 . . . . 0.0 111.204 174.412 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 160.77 -163.26 34.05 Favored Glycine 0 CA--C 1.523 0.55 0 N-CA-C 111.212 -0.755 . . . . 0.0 111.212 -179.462 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 74.6 m-80 -105.56 108.05 19.35 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.921 0.391 . . . . 0.0 111.209 -174.481 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 80' ' ' TYR . . . . . . . . . . . . . 54.7 m-85 -84.94 69.99 10.85 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.35 177.809 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 87.0 m -68.89 134.61 49.85 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.019 -172.842 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 12.7 tt -109.98 136.92 44.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.196 176.373 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 83' ' ' MET . . . . . . . . . . . . . 59.2 ttm -127.71 128.34 45.25 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.289 -0.414 . . . . 0.0 111.327 -178.143 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -98.69 65.05 1.53 Allowed 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.319 -0.4 . . . . 0.0 111.12 173.858 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -75.22 143.14 43.28 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.269 -174.431 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 86' ' ' ASN . . . . . 0.587 ' HB2' ' CD ' ' A' ' 87' ' ' PRO . 37.5 p30 -155.5 174.72 3.66 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-N 116.293 -0.412 . . . . 0.0 111.101 171.45 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 87' ' ' PRO . . . . . 0.587 ' CD ' ' HB2' ' A' ' 86' ' ' ASN . 68.8 Cg_exo -59.79 -24.63 76.54 Favored 'Trans proline' 0 N--CA 1.456 -0.685 0 C-N-CA 121.7 1.6 . . . . 0.0 111.328 -174.682 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 88.3 mm-40 -97.07 -1.72 44.74 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.285 -171.087 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 144.47 -175.45 24.21 Favored Glycine 0 CA--C 1.524 0.624 0 N-CA-C 111.252 -0.739 . . . . 0.0 111.252 -178.201 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 41.0 ptt180 -148.51 159.97 43.54 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.593 0.235 . . . . 0.0 111.201 -177.014 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 9.3 p -147.35 139.93 19.02 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.525 0 CA-C-N 116.288 -0.415 . . . . 0.0 111.295 173.78 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 36.8 t -130.08 137.46 50.21 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.334 -0.394 . . . . 0.0 111.323 -169.205 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 93' ' ' CYS . . . . . . . . . . . . . 96.5 m -130.05 139.2 51.02 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.277 -0.42 . . . . 0.0 111.341 171.827 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 94.6 m -87.45 118.51 26.95 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.229 -171.566 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -88.85 59.88 3.92 Favored Glycine 0 CA--C 1.523 0.571 0 N-CA-C 111.249 -0.74 . . . . 0.0 111.249 179.99 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 79.2 ttt180 -53.43 113.94 1.33 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.71 0.29 . . . . 0.0 111.304 -179.887 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 65.5 tp -123.4 109.22 13.6 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.242 174.615 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 98' ' ' MET . . . . . . . . . . . . . 99.2 mmm -95.67 140.82 29.94 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.158 178.137 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 85.9 t -115.63 128.99 72.68 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.221 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.166 -176.348 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 99.4 mm-40 -89.92 119.46 30.31 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.218 178.177 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -60.91 136.29 58.04 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.204 -177.695 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 102' ' ' VAL . . . . . . . . . . . . . 89.4 t -118.57 114.13 44.0 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.214 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.159 179.719 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 99.5 m-20 -70.42 -22.36 62.73 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.176 -175.323 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 104' ' ' GLN . . . . . . . . . . . . . 99.8 mm-40 -85.06 -6.62 59.31 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.285 -0.416 . . . . 0.0 111.388 -179.711 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 24.2 tpp180 -73.05 113.83 10.53 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 115.99 -0.55 . . . . 0.0 111.305 178.888 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . -66.17 -24.72 72.04 Favored Glycine 0 CA--C 1.524 0.609 0 N-CA-C 111.278 -0.729 . . . . 0.0 111.278 -176.024 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 99.9 mtt180 -104.88 18.72 21.82 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.747 0.308 . . . . 0.0 111.083 -179.595 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 38.4 t . . . . . 1 C--O 0.999 -12.105 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.324 -179.144 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.523 0.533 0 N-CA-C 111.191 -0.764 . . . . 0.0 111.191 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 85.2 -170.33 44.87 Favored Glycine 0 CA--C 1.524 0.624 0 N-CA-C 111.222 -0.751 . . . . 0.0 111.222 179.978 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 47.6 t -142.58 128.8 19.85 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 120.717 0.294 . . . . 0.0 111.295 179.008 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 96.3 m-20 64.95 31.12 11.58 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.352 -0.386 . . . . 0.0 111.142 -176.939 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -168.5 162.59 12.26 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.104 -178.115 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 97.0 m -101.55 124.78 47.78 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.09 -0.505 . . . . 0.0 111.378 178.367 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -56.26 135.91 75.31 Favored Pre-proline 0 C--N 1.326 -0.432 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.147 179.39 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 54.6 Cg_endo -71.43 148.07 53.69 Favored 'Trans proline' 0 N--CA 1.457 -0.623 0 C-N-CA 121.784 1.656 . . . . 0.0 111.119 -177.172 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 55.1 p90 -153.32 155.01 35.69 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.305 -0.407 . . . . 0.0 111.262 174.085 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 90.3 m-85 -83.56 94.18 8.01 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.282 -0.417 . . . . 0.0 111.046 -172.458 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 87.8 tt0 -57.02 -37.11 71.24 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.3 169.885 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 62.7 ttp -130.78 122.75 27.74 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.052 -0.522 . . . . 0.0 111.219 173.241 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 99.0 mttt -102.11 164.95 11.42 Favored 'General case' 0 C--O 1.233 0.208 0 CA-C-N 116.097 -0.501 . . . . 0.0 111.243 -173.363 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 95.9 mt -84.11 154.97 22.85 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.315 -0.402 . . . . 0.0 111.174 178.649 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 98.0 mttt -114.98 169.96 8.7 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.299 176.205 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 19.2 t-160 -67.02 111.08 3.64 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.154 174.139 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 60.9 m-85 -100.88 146.31 27.5 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.38 -0.373 . . . . 0.0 111.298 -175.081 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 99.0 mttt -135.74 139.66 43.76 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.275 176.727 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 9.7 tp -147.96 152.09 12.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.022 -178.336 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 67.2 m-85 -79.93 145.33 32.68 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.069 -0.514 . . . . 0.0 111.306 172.66 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 88.5 tt0 -53.43 124.6 15.28 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.001 -178.604 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 104.1 -17.05 49.14 Favored Glycine 0 CA--C 1.524 0.598 0 N-CA-C 111.076 -0.81 . . . . 0.0 111.076 171.78 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 98.1 mmm -84.97 153.7 60.35 Favored Pre-proline 0 C--N 1.328 -0.342 0 CA-C-O 120.874 0.369 . . . . 0.0 111.179 -175.359 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 71.7 Cg_endo -75.06 153.53 41.56 Favored 'Trans proline' 0 C--N 1.328 -0.517 0 C-N-CA 121.617 1.545 . . . . 0.0 111.241 178.408 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 46.5 t -135.03 127.05 47.63 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.198 179.518 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 85.8 m -122.26 125.32 45.78 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.028 -0.533 . . . . 0.0 111.107 179.767 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 37.8 p90 -153.72 160.16 42.22 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.05 174.2 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 9.3 t -149.62 155.58 40.49 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.177 -172.371 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 11.2 t -141.09 148.2 39.77 Favored 'General case' 0 C--O 1.235 0.318 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.197 -178.619 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 60.6 ttt85 -121.87 121.77 37.91 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.478 -0.328 . . . . 0.0 111.188 -172.875 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 97.2 t -110.66 119.34 59.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.316 176.624 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -92.8 64.94 4.12 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.226 -177.776 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -92.74 175.25 36.88 Favored Glycine 0 CA--C 1.521 0.418 0 N-CA-C 111.3 -0.72 . . . . 0.0 111.3 176.058 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 34' ' ' ASN . . . . . 0.48 ' HA ' ' HA ' ' A' ' 35' ' ' PRO . 54.2 t-20 -158.88 106.19 1.59 Allowed Pre-proline 0 CA--C 1.511 -0.546 0 CA-C-O 121.329 0.585 . . . . 0.0 110.924 176.706 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 35' ' ' PRO . . . . . 0.48 ' HA ' ' HA ' ' A' ' 34' ' ' ASN . 60.1 Cg_endo -73.01 157.77 98.82 Favored 'Cis proline' 0 N--CA 1.458 -0.574 0 C-N-CA 121.371 -2.345 . . . . 0.0 111.246 2.046 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 3.8 mptp? -60.08 112.77 5.91 Favored Pre-proline 0 C--N 1.331 -0.208 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.117 176.966 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 39.8 Cg_exo -59.8 154.6 48.62 Favored 'Trans proline' 0 N--CA 1.458 -0.604 0 C-N-CA 121.625 1.55 . . . . 0.0 111.198 178.966 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 88.6 tttt -70.33 79.17 0.54 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.261 175.014 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 87.4 mt -41.94 123.79 0.49 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.225 -176.412 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 85.5 m-85 -106.26 148.25 28.19 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.296 -0.411 . . . . 0.0 111.224 178.582 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 41' ' ' TRP . . . . . . . . . . . . . 90.4 m95 -119.98 141.87 49.29 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.184 173.03 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 40.2 p90 -152.58 146.12 24.95 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.075 -0.511 . . . . 0.0 111.406 172.084 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 12.3 tmtt? -110.04 110.06 20.84 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.271 -175.028 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 94.6 m-20 53.81 33.62 17.37 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.075 -176.17 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 95.83 -0.07 62.53 Favored Glycine 0 CA--C 1.525 0.676 0 N-CA-C 111.034 -0.827 . . . . 0.0 111.034 176.533 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 97.0 mttt -94.92 100.66 12.48 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.811 0.339 . . . . 0.0 111.155 -178.942 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 66.4 tt0 -51.11 129.47 24.18 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 116.393 -0.367 . . . . 0.0 111.202 -177.491 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 95.0 mt -99.97 124.99 53.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.305 -0.407 . . . . 0.0 111.266 -179.317 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 49' ' ' SER . . . . . 0.422 ' HA ' ' HD3' ' A' ' 50' ' ' PRO . 30.6 t -87.92 133.97 36.29 Favored Pre-proline 0 C--N 1.327 -0.407 0 CA-C-N 116.328 -0.396 . . . . 0.0 111.262 174.864 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 50' ' ' PRO . . . . . 0.422 ' HD3' ' HA ' ' A' ' 49' ' ' SER . 53.6 Cg_exo -54.83 137.77 75.73 Favored 'Trans proline' 0 N--CA 1.456 -0.678 0 C-N-CA 121.71 1.607 . . . . 0.0 111.264 178.109 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 98.0 mttt 58.21 56.98 4.2 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.252 178.232 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 14.8 t -94.95 -161.6 0.87 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.291 178.681 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 99.6 m-20 -55.0 -45.67 75.08 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.348 -177.899 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 54' ' ' HIS . . . . . . . . . . . . . 99.5 m-70 -136.41 -5.21 2.05 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.879 -0.6 . . . . 0.0 111.304 179.368 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 55' ' ' TYR . . . . . . . . . . . . . 22.2 m-30 -107.19 96.63 6.55 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.081 -172.286 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 97.7 m -99.02 124.49 44.04 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.162 -179.582 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 98.5 mt -110.54 124.39 67.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.277 -0.419 . . . . 0.0 111.259 179.586 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 97.0 mm-40 -115.04 105.12 12.59 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.289 -0.414 . . . . 0.0 111.147 174.247 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 39.3 ttm105 -102.0 100.03 10.26 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.287 -0.415 . . . . 0.0 111.153 -173.765 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 65.6 t0 -78.1 131.32 37.22 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.229 -0.442 . . . . 0.0 111.125 173.52 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 95.2 mt -67.53 -14.19 62.72 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.232 -174.347 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 19.0 t70 -63.93 -27.32 69.06 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.286 -0.415 . . . . 0.0 111.2 177.482 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 132.71 -10.8 5.2 Favored Glycine 0 CA--C 1.523 0.557 0 N-CA-C 111.164 -0.774 . . . . 0.0 111.164 175.982 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 96.9 m -94.58 128.37 41.15 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 120.829 0.347 . . . . 0.0 111.293 178.379 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 65' ' ' CYS . . . . . . . . . . . . . 46.9 t -131.41 129.14 40.88 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.152 176.488 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 29.0 t -105.36 143.18 33.88 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.215 -176.451 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 61.1 tp -120.74 117.78 28.35 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.256 173.642 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 83.0 t60 -110.45 127.66 55.23 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.353 -178.619 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 95.2 m -100.37 117.14 33.95 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.022 171.885 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 81.7 m -63.72 -44.03 94.78 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.21 -176.061 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -144.08 88.22 1.95 Allowed 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.288 -0.415 . . . . 0.0 111.057 -176.871 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 47.0 t -78.12 106.37 9.96 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.097 -177.493 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 46.5 p -102.72 176.59 5.11 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 120.973 0.416 . . . . 0.0 111.021 179.304 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 37.5 tp -56.12 -35.69 67.38 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 116.037 -0.529 . . . . 0.0 111.278 -178.625 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 99.2 m-20 -72.38 -17.25 61.84 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.053 -0.521 . . . . 0.0 111.233 179.764 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 68.8 m-20 -89.93 -5.79 56.39 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.285 178.121 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 54.9 t0 -62.94 127.02 29.32 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.249 176.42 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 162.22 -164.03 35.27 Favored Glycine 0 CA--C 1.523 0.58 0 N-CA-C 111.157 -0.777 . . . . 0.0 111.157 -179.529 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 73.3 m-80 -105.82 109.57 21.58 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.869 0.366 . . . . 0.0 111.143 -173.803 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 80' ' ' TYR . . . . . . . . . . . . . 48.9 m-85 -84.56 70.07 10.68 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.292 178.016 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 88.7 m -65.94 134.19 52.46 Favored 'General case' 0 C--O 1.234 0.275 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.207 -171.504 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 2.8 tt -103.49 142.11 17.93 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.295 -0.411 . . . . 0.0 111.115 173.564 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 83' ' ' MET . . . . . . . . . . . . . 65.9 ttp -142.67 124.64 15.23 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.256 -177.64 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -93.37 64.95 3.76 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.199 178.095 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -73.09 134.66 44.61 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.21 -175.532 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 86' ' ' ASN . . . . . 0.557 ' HB2' ' HD2' ' A' ' 87' ' ' PRO . 5.4 p30 -154.95 173.55 4.72 Favored Pre-proline 0 C--N 1.327 -0.407 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.228 176.001 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 87' ' ' PRO . . . . . 0.557 ' HD2' ' HB2' ' A' ' 86' ' ' ASN . 71.3 Cg_exo -57.79 -30.71 90.19 Favored 'Trans proline' 0 N--CA 1.457 -0.633 0 C-N-CA 121.85 1.7 . . . . 0.0 111.136 -174.396 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 95.3 mm-40 -95.27 2.22 54.76 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.128 -170.209 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 142.03 -174.71 23.07 Favored Glycine 0 CA--C 1.521 0.41 0 N-CA-C 111.405 -0.678 . . . . 0.0 111.405 177.103 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 41.4 ptt180 -149.23 156.04 41.52 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 120.565 0.222 . . . . 0.0 111.16 -178.414 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 9.5 p -151.8 139.55 13.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.215 174.121 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 94.7 p -129.3 158.69 38.38 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.315 -0.402 . . . . 0.0 111.364 -167.51 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 93' ' ' CYS . . . . . . . . . . . . . 52.1 t -149.99 135.06 17.91 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.186 176.588 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 88.8 m -70.71 130.06 40.76 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.211 -172.523 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -103.16 55.5 0.65 Allowed Glycine 0 CA--C 1.523 0.547 0 N-CA-C 111.279 -0.729 . . . . 0.0 111.279 177.087 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 80.0 ttt180 -52.8 115.56 1.88 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.797 0.332 . . . . 0.0 111.285 -176.414 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 57.5 tp -124.62 110.28 14.22 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.161 171.401 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 98' ' ' MET . . . . . . . . . . . . . 98.8 mmm -96.27 141.33 29.74 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.151 179.329 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 57.3 t -118.61 125.04 74.07 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.262 -176.756 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 55.1 tp60 -82.68 118.59 23.45 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.227 173.798 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -62.53 134.63 56.66 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.311 -0.404 . . . . 0.0 111.181 178.738 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 102' ' ' VAL . . . . . . . . . . . . . 78.1 t -116.52 113.68 43.76 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.183 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.176 -179.211 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 99.4 m-20 -72.15 -18.53 61.87 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.083 -0.508 . . . . 0.0 111.17 -175.065 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 104' ' ' GLN . . . . . . . . . . . . . 99.8 mm-40 -89.01 -4.97 58.25 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.302 -0.408 . . . . 0.0 111.45 179.817 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 24.3 tpp180 -70.0 109.96 4.81 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.86 -0.609 . . . . 0.0 111.15 179.509 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . -72.57 -14.59 77.59 Favored Glycine 0 CA--C 1.525 0.683 0 N-CA-C 111.273 -0.731 . . . . 0.0 111.273 -176.412 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 99.9 mtt180 -89.51 0.53 56.82 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.812 0.339 . . . . 0.0 111.01 -179.392 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 72.8 m . . . . . 1 C--O 0.999 -12.125 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.28 177.72 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.523 0.558 0 N-CA-C 111.165 -0.774 . . . . 0.0 111.165 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 64.99 -125.04 29.56 Favored Glycine 0 CA--C 1.523 0.575 0 N-CA-C 111.265 -0.734 . . . . 0.0 111.265 179.908 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 40.4 t -179.5 74.94 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 120.746 0.308 . . . . 0.0 111.182 -178.062 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 62.3 t30 54.96 45.07 27.22 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.315 -0.402 . . . . 0.0 111.212 -179.144 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -155.01 154.97 33.34 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.075 -0.511 . . . . 0.0 111.174 -177.844 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 85.0 m -134.97 130.2 35.41 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.31 -177.72 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -62.27 151.85 80.69 Favored Pre-proline 0 C--N 1.328 -0.367 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.166 -179.828 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 35.9 Cg_endo -64.48 145.63 88.02 Favored 'Trans proline' 0 N--CA 1.457 -0.624 0 C-N-CA 121.785 1.656 . . . . 0.0 111.15 179.873 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 86.8 t80 -161.42 139.95 9.65 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 121.004 0.43 . . . . 0.0 111.067 -176.895 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 90.3 m-85 -90.53 99.75 12.72 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.078 -0.51 . . . . 0.0 111.088 176.953 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 21.6 pt-20 -78.43 -14.94 59.15 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.049 -0.523 . . . . 0.0 111.199 175.989 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 63.0 ttp -140.32 107.37 5.45 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.15 168.141 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 99.4 mttt -93.0 167.97 11.45 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.033 -0.531 . . . . 0.0 111.247 -172.356 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 85.7 mt -81.86 157.59 24.34 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.344 177.184 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 97.3 mttt -114.97 179.76 3.86 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.295 -0.411 . . . . 0.0 111.313 177.144 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 22.9 t-160 -82.55 110.14 17.38 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.264 -0.425 . . . . 0.0 111.133 172.997 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 17' ' ' TYR . . . . . 0.415 ' HB2' ' HG ' ' A' ' 97' ' ' LEU . 92.1 m-85 -98.18 143.58 28.54 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.388 -0.369 . . . . 0.0 111.297 -173.221 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 88.3 tttt -115.48 120.09 38.36 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.298 175.271 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 4.1 mp -126.25 139.29 52.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.101 -173.575 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 20' ' ' PHE . . . . . 0.428 ' HB3' HG22 ' A' ' 102' ' ' VAL . 12.6 m-30 -73.74 140.97 46.32 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.28 173.641 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 88.0 tt0 -56.62 117.48 3.93 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.246 179.514 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 96.45 -8.12 66.43 Favored Glycine 0 CA--C 1.524 0.618 0 N-CA-C 111.321 -0.711 . . . . 0.0 111.321 177.375 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 28.6 ttt -88.81 132.19 39.18 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 120.764 0.316 . . . . 0.0 111.375 -178.21 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 50.0 Cg_endo -66.15 151.02 84.68 Favored 'Trans proline' 0 C--N 1.326 -0.617 0 C-N-CA 121.73 1.62 . . . . 0.0 111.071 177.215 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 8.1 p -145.87 135.02 17.25 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.215 0 CA-C-N 116.092 -0.503 . . . . 0.0 111.085 -179.511 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 92.0 m -114.82 129.86 56.77 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.171 176.838 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 28.2 p90 -145.36 153.45 41.24 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.193 177.861 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 12.4 t -149.6 159.41 44.35 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.274 -167.711 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 48.2 t -147.59 147.11 29.71 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.132 -179.046 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 58.0 ttt85 -123.41 135.32 54.06 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.122 -172.446 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 31.7 m -116.41 163.98 13.14 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.219 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.117 -179.476 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -144.05 76.82 1.52 Allowed 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.307 177.762 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -117.74 -176.7 17.26 Favored Glycine 0 CA--C 1.521 0.437 0 N-CA-C 111.234 -0.747 . . . . 0.0 111.234 176.986 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 34' ' ' ASN . . . . . 0.469 ' HA ' ' HA ' ' A' ' 35' ' ' PRO . 54.2 t-20 -155.46 106.06 2.2 Favored Pre-proline 0 CA--C 1.51 -0.572 0 CA-C-O 121.256 0.55 . . . . 0.0 110.979 178.786 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 35' ' ' PRO . . . . . 0.469 ' HA ' ' HA ' ' A' ' 34' ' ' ASN . 30.0 Cg_exo -71.71 157.68 96.6 Favored 'Cis proline' 0 N--CA 1.456 -0.73 0 C-N-CA 121.564 -2.265 . . . . 0.0 111.318 7.541 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 36' ' ' LYS . . . . . 0.424 ' HA ' ' HD3' ' A' ' 37' ' ' PRO . 99.0 mttt -58.56 127.8 82.37 Favored Pre-proline 0 C--N 1.332 -0.19 0 CA-C-N 116.11 -0.496 . . . . 0.0 111.145 -178.536 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 37' ' ' PRO . . . . . 0.551 ' HA ' ' HB3' ' A' ' 86' ' ' ASN . 74.0 Cg_exo -56.68 144.98 84.44 Favored 'Trans proline' 0 N--CA 1.458 -0.574 0 C-N-CA 121.636 1.557 . . . . 0.0 111.242 -177.184 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 98.8 mttt -89.04 75.53 7.94 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.37 174.559 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 79.0 mt -42.25 121.09 0.37 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 116.049 -0.523 . . . . 0.0 111.147 -170.693 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 75.5 m-85 -110.87 150.52 29.06 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.248 173.125 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 41' ' ' TRP . . . . . . . . . . . . . 91.1 m95 -117.7 140.33 49.82 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.288 -0.415 . . . . 0.0 111.164 178.448 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 44.1 p90 -153.37 146.53 24.67 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.318 168.557 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 13.5 tmtt? -110.0 109.85 20.58 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.081 -0.509 . . . . 0.0 111.198 -172.979 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 89.3 m-20 53.27 34.39 17.62 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.292 -0.413 . . . . 0.0 111.08 -176.789 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 96.52 -0.37 61.39 Favored Glycine 0 CA--C 1.525 0.671 0 N-CA-C 111.086 -0.805 . . . . 0.0 111.086 176.321 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 96.7 mttt -95.3 100.06 11.9 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.87 0.366 . . . . 0.0 111.099 -178.492 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 66.4 tt0 -51.46 128.77 23.68 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.13 -178.146 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 96.9 mt -100.35 124.59 53.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.133 -178.974 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 49' ' ' SER . . . . . 0.425 ' HA ' ' HD3' ' A' ' 50' ' ' PRO . 30.2 t -88.0 134.69 34.62 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-N 116.309 -0.405 . . . . 0.0 111.292 174.893 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 50' ' ' PRO . . . . . 0.425 ' HD3' ' HA ' ' A' ' 49' ' ' SER . 53.8 Cg_exo -54.59 138.14 74.58 Favored 'Trans proline' 0 N--CA 1.457 -0.648 0 C-N-CA 121.643 1.562 . . . . 0.0 111.336 178.446 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 98.0 mttt 58.46 56.91 4.09 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.295 177.857 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 14.5 t -94.93 -162.08 0.92 Allowed 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.275 178.847 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 99.5 m-20 -55.48 -45.96 76.93 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.342 -177.879 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 54' ' ' HIS . . . . . . . . . . . . . 99.7 m-70 -136.21 -4.93 2.11 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.038 -0.528 . . . . 0.0 111.334 179.86 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 55' ' ' TYR . . . . . . . . . . . . . 22.0 m-30 -108.57 96.88 6.64 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 121.168 0.509 . . . . 0.0 111.124 -173.445 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 97.1 m -100.07 120.58 40.07 Favored 'General case' 0 C--O 1.233 0.195 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.231 -179.181 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 98.1 mt -105.75 124.98 61.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.232 179.352 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 71.7 tp60 -116.94 107.83 15.05 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.185 172.884 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 42.3 ttm105 -101.28 100.05 10.51 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.162 -175.984 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 66.9 t0 -77.53 128.51 34.3 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.149 173.901 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 95.0 mt -66.97 -13.66 62.08 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.23 -174.615 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 24.3 t70 -60.79 -29.53 69.51 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.185 176.874 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 132.98 -0.45 4.45 Favored Glycine 0 CA--C 1.525 0.695 0 N-CA-C 110.967 -0.853 . . . . 0.0 110.967 176.456 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 97.6 m -107.34 134.81 49.85 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-O 120.83 0.348 . . . . 0.0 111.241 178.092 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 65' ' ' CYS . . . . . . . . . . . . . 35.5 t -133.77 135.05 43.65 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.989 175.387 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 29.3 t -115.79 139.06 50.54 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.181 -175.296 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 53.9 tp -115.9 115.7 26.68 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.063 173.754 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 75.4 t60 -100.89 130.03 46.83 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.245 178.34 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 100.0 m -103.48 115.91 31.41 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.106 171.659 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 84.1 m -69.29 -39.93 78.04 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.241 -175.236 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -137.05 81.21 1.86 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.102 -177.425 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 47.3 t -76.4 107.56 8.75 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.123 -0.489 . . . . 0.0 111.21 179.874 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 54.6 p -116.26 -176.84 3.04 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.213 -179.946 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 95.9 mt -64.2 -24.77 67.79 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.448 -177.967 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 98.7 m-20 -78.18 -17.82 56.3 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.067 174.741 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 63.6 m-20 -95.17 -16.12 22.8 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.292 178.362 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 54.9 t0 -54.85 128.59 33.8 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.039 -0.528 . . . . 0.0 111.303 173.009 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 157.43 -163.4 32.49 Favored Glycine 0 CA--C 1.524 0.616 0 N-CA-C 111.214 -0.755 . . . . 0.0 111.214 -177.095 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 75.0 m-20 -105.27 106.75 17.38 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.816 0.341 . . . . 0.0 111.126 -174.011 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 80' ' ' TYR . . . . . . . . . . . . . 67.4 m-85 -79.68 69.11 5.92 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.283 175.58 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 91.0 m -63.53 132.76 52.31 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.266 -0.425 . . . . 0.0 111.203 -170.62 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 82' ' ' ILE . . . . . 0.439 HG23 ' HB3' ' A' ' 93' ' ' CYS . 3.5 tt -110.09 139.32 33.9 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-N 116.296 -0.411 . . . . 0.0 111.16 -178.923 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 83' ' ' MET . . . . . . . . . . . . . 63.6 tpp -119.96 120.06 35.27 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.19 -175.112 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -86.92 70.21 10.31 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.335 -0.393 . . . . 0.0 111.161 175.1 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -82.79 122.25 27.96 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.235 -0.438 . . . . 0.0 111.33 -175.429 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 86' ' ' ASN . . . . . 0.624 ' HB2' ' CD ' ' A' ' 87' ' ' PRO . 27.1 p-10 -145.09 178.73 1.34 Allowed Pre-proline 0 C--N 1.327 -0.371 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.156 172.845 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 87' ' ' PRO . . . . . 0.624 ' CD ' ' HB2' ' A' ' 86' ' ' ASN . 77.8 Cg_exo -58.99 -25.14 76.5 Favored 'Trans proline' 0 N--CA 1.456 -0.707 0 C-N-CA 121.795 1.664 . . . . 0.0 111.241 -175.014 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 97.0 mm-40 -93.05 -3.09 54.9 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.187 -171.168 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 139.76 -165.76 25.79 Favored Glycine 0 CA--C 1.523 0.587 0 N-CA-C 111.311 -0.716 . . . . 0.0 111.311 -179.458 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 40.8 ptt180 -148.2 148.76 30.89 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.809 0.337 . . . . 0.0 111.107 179.523 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 61.2 t -132.26 133.52 60.2 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.23 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.155 178.319 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 31.4 t -99.71 137.65 37.88 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.287 -179.582 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 93' ' ' CYS . . . . . 0.439 ' HB3' HG23 ' A' ' 82' ' ' ILE . 47.8 t -136.05 133.59 37.56 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.282 172.919 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 86.0 m -71.43 128.89 37.33 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.19 -173.246 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -100.97 59.92 0.64 Allowed Glycine 0 CA--C 1.524 0.622 0 N-CA-C 111.113 -0.795 . . . . 0.0 111.113 175.367 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 80.9 ttt180 -61.3 111.27 1.68 Allowed 'General case' 0 C--N 1.327 -0.389 0 CA-C-O 120.713 0.292 . . . . 0.0 111.313 -172.041 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 97' ' ' LEU . . . . . 0.415 ' HG ' ' HB2' ' A' ' 17' ' ' TYR . 3.4 mp -116.65 119.89 36.91 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.161 173.349 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 98' ' ' MET . . . . . . . . . . . . . 65.9 ttp -107.96 130.23 55.06 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.299 -179.432 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 96.7 t -111.28 125.0 68.57 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.366 0 CA-C-O 121.027 0.442 . . . . 0.0 111.298 -177.299 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 95.2 mm-40 -119.73 173.09 7.24 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.324 -179.918 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -65.05 147.58 53.22 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.204 179.227 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 102' ' ' VAL . . . . . 0.428 HG22 ' HB3' ' A' ' 20' ' ' PHE . 34.2 t -69.36 103.43 0.85 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.286 -178.371 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 99.5 m-20 -65.33 -25.08 67.45 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.145 -177.251 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 104' ' ' GLN . . . . . . . . . . . . . 88.2 mt-30 -75.92 -19.39 58.84 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.299 -0.409 . . . . 0.0 111.387 178.775 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 77.3 ttt180 -80.03 115.09 19.41 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 115.987 -0.552 . . . . 0.0 111.259 -177.854 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . -70.51 -17.55 74.71 Favored Glycine 0 CA--C 1.523 0.557 0 N-CA-C 111.254 -0.739 . . . . 0.0 111.254 -177.528 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 99.9 mtt180 -90.78 -2.62 57.78 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.768 0.318 . . . . 0.0 111.147 -179.898 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 41.8 t . . . . . 1 C--O 0.999 -12.124 0 CA-C-N 116.329 -0.396 . . . . 0.0 111.313 179.801 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.524 0.594 0 N-CA-C 111.212 -0.755 . . . . 0.0 111.212 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 2' ' ' GLY . . . . . 0.726 ' O ' ' CB ' ' A' ' 3' ' ' SER . . . 65.06 -125.02 29.35 Favored Glycine 0 CA--C 1.523 0.585 0 N-CA-C 111.383 -0.687 . . . . 0.0 111.383 -179.89 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 3' ' ' SER . . . . . 0.726 ' CB ' ' O ' ' A' ' 2' ' ' GLY . 45.8 p 132.3 -5.01 0.0 OUTLIER 'General case' 0 C--O 1.236 0.391 0 CA-C-O 120.688 0.28 . . . . 0.0 111.198 -167.172 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 62.3 t30 55.39 45.01 26.23 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.406 -0.361 . . . . 0.0 111.118 -178.756 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -155.1 155.02 33.3 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.177 -178.431 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 87.6 m -139.42 127.88 22.92 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.364 -178.593 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -65.05 145.31 99.12 Favored Pre-proline 0 C--N 1.328 -0.368 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.21 -179.41 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 77.8 Cg_exo -53.83 130.0 36.95 Favored 'Trans proline' 0 N--CA 1.458 -0.611 0 C-N-CA 121.738 1.625 . . . . 0.0 111.2 179.918 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 91.6 t80 -155.74 123.8 5.76 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.995 0.426 . . . . 0.0 111.049 174.71 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 53.7 m-85 -70.77 105.95 3.39 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.073 -0.512 . . . . 0.0 111.166 -178.084 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 15.5 pt-20 -71.51 -19.98 62.11 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.121 170.261 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 67.5 ttp -140.71 114.63 9.03 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.191 172.971 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 98.5 mttt -98.38 171.42 8.19 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.083 -0.508 . . . . 0.0 111.209 -175.384 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 96.0 mt -77.52 147.33 35.86 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.185 -179.354 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 97.3 mttt -105.03 165.05 11.34 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.291 -178.706 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 23.5 t-160 -89.85 109.97 20.93 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.165 176.694 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 96.3 m-85 -100.29 144.93 28.72 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.381 -0.372 . . . . 0.0 111.292 -175.734 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 97.3 mttt -111.64 90.63 3.39 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.207 176.06 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 19' ' ' ILE . . . . . 0.407 ' O ' ' HA ' ' A' ' 99' ' ' VAL . 42.8 mm -109.95 140.04 30.61 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.261 -169.433 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 49.8 m-85 -77.6 141.26 39.6 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.315 -0.402 . . . . 0.0 111.254 178.838 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 21.1 pt-20 -51.84 125.5 15.34 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.103 -0.498 . . . . 0.0 111.194 -179.325 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 97.7 -21.01 48.36 Favored Glycine 0 CA--C 1.526 0.78 0 N-CA-C 111.156 -0.778 . . . . 0.0 111.156 177.469 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 60.0 ttm -76.97 135.86 66.84 Favored Pre-proline 0 C--N 1.328 -0.346 0 CA-C-O 120.86 0.362 . . . . 0.0 111.306 -177.67 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 73.9 Cg_endo -71.53 150.38 57.35 Favored 'Trans proline' 0 N--CA 1.459 -0.554 0 C-N-CA 121.601 1.534 . . . . 0.0 111.15 175.823 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 7.8 p -152.56 132.72 3.91 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.239 0 CA-C-N 115.992 -0.549 . . . . 0.0 111.187 177.214 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 92.5 m -109.26 130.82 55.48 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.14 176.423 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 22.3 p90 -147.96 149.61 32.49 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.067 -0.515 . . . . 0.0 111.142 179.492 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 8.9 t -151.39 160.87 43.54 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.133 -163.369 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 27.1 p -139.57 172.66 12.48 Favored 'General case' 0 C--O 1.234 0.259 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.156 175.601 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 57.5 ttt85 -147.61 133.06 18.62 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 116.405 -0.361 . . . . 0.0 111.143 -177.877 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 10.6 p -115.9 128.27 73.23 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.423 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.188 -178.224 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -101.11 69.1 1.28 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.162 -177.696 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -110.46 -178.11 20.74 Favored Glycine 0 CA--C 1.522 0.518 0 N-CA-C 111.221 -0.752 . . . . 0.0 111.221 179.1 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 34' ' ' ASN . . . . . 0.417 ' HA ' ' HA ' ' A' ' 35' ' ' PRO . 54.1 t-20 -158.16 108.39 1.72 Allowed Pre-proline 0 CA--C 1.511 -0.545 0 CA-C-O 121.212 0.53 . . . . 0.0 110.94 178.086 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 35' ' ' PRO . . . . . 0.417 ' HA ' ' HA ' ' A' ' 34' ' ' ASN . 24.6 Cg_exo -73.21 164.87 85.86 Favored 'Cis proline' 0 N--CA 1.457 -0.623 0 C-N-CA 121.694 -2.211 . . . . 0.0 111.174 7.637 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 36' ' ' LYS . . . . . 0.437 ' HD2' ' N ' ' A' ' 36' ' ' LYS . 4.3 mptp? -59.92 111.9 4.59 Favored Pre-proline 0 C--N 1.33 -0.265 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.112 -176.373 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 37' ' ' PRO . . . . . 0.429 ' HB2' ' HB1' ' A' ' 84' ' ' ALA . 51.6 Cg_exo -59.72 146.32 95.79 Favored 'Trans proline' 0 N--CA 1.46 -0.49 0 C-N-CA 121.66 1.573 . . . . 0.0 111.088 -178.766 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 98.9 mttt -87.96 127.72 35.37 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.036 -0.529 . . . . 0.0 111.344 174.345 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 87.4 mt -97.15 116.21 38.84 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.039 -174.198 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 92.7 m-85 -103.32 144.83 30.85 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.269 -178.644 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 41' ' ' TRP . . . . . . . . . . . . . 87.7 m95 -105.75 134.62 48.57 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.236 -177.39 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 36.4 p90 -150.2 141.72 23.46 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.272 166.34 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 14.4 tmtt? -109.57 110.04 21.0 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.188 -173.669 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 93.0 m-20 54.98 33.27 19.82 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.301 -0.409 . . . . 0.0 111.176 -174.772 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 94.89 -0.85 64.93 Favored Glycine 0 CA--C 1.524 0.647 0 N-CA-C 111.218 -0.753 . . . . 0.0 111.218 176.991 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 96.9 mttt -94.6 99.9 11.96 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.827 0.346 . . . . 0.0 111.194 -178.611 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 66.3 tt0 -51.6 128.66 23.83 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.119 -177.95 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 97.3 mt -98.4 124.86 51.76 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.273 -178.756 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 49' ' ' SER . . . . . 0.42 ' HA ' ' HD3' ' A' ' 50' ' ' PRO . 30.3 t -86.41 132.88 41.64 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-N 116.336 -0.393 . . . . 0.0 111.197 175.68 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 50' ' ' PRO . . . . . 0.42 ' HD3' ' HA ' ' A' ' 49' ' ' SER . 52.1 Cg_exo -55.02 140.41 79.99 Favored 'Trans proline' 0 N--CA 1.457 -0.661 0 C-N-CA 121.538 1.492 . . . . 0.0 111.25 177.986 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 98.3 mttt 58.14 54.16 6.08 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.258 177.463 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 15.6 t -95.1 -161.71 0.88 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.143 178.995 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 99.5 m-20 -55.32 -44.91 76.28 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.292 -177.123 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 54' ' ' HIS . . . . . . . . . . . . . 99.3 m-70 -135.81 -4.96 2.2 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.349 -178.564 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 55' ' ' TYR . . . . . . . . . . . . . 18.2 m-30 -110.01 95.63 5.72 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.122 -172.913 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 96.3 m -97.56 115.05 27.11 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.092 -0.504 . . . . 0.0 111.165 178.141 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 98.0 mt -102.49 133.58 45.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.115 -178.681 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 70.8 tp60 -130.02 110.2 11.45 Favored 'General case' 0 C--O 1.234 0.289 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.091 174.053 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 43.1 ttm105 -102.32 99.98 10.11 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.208 -175.651 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 66.5 t0 -71.75 128.08 34.64 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.2 173.159 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 95.0 mt -66.55 -15.26 63.27 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.268 -174.974 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 22.8 t70 -64.52 -26.27 68.35 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.301 -0.408 . . . . 0.0 111.059 178.273 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 132.36 0.23 4.59 Favored Glycine 0 CA--C 1.524 0.601 0 N-CA-C 111.135 -0.786 . . . . 0.0 111.135 176.279 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 84.0 m -100.1 135.23 41.84 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.794 0.331 . . . . 0.0 111.231 177.975 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 65' ' ' CYS . . . . . . . . . . . . . 49.6 t -134.88 123.75 23.95 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.189 178.524 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 50.7 m -110.9 147.87 33.68 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.133 -174.065 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 59.6 tp -126.15 120.25 29.63 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.038 -0.528 . . . . 0.0 111.259 168.715 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 71.5 t60 -97.81 124.76 42.33 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.216 172.896 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 96.9 m -100.38 114.9 28.8 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.133 172.391 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 82.6 m -67.16 -40.08 86.59 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.155 -175.853 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -142.91 89.64 2.14 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.134 -177.173 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 22.9 t -78.05 80.07 4.49 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.137 -177.429 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 58.0 p -83.35 176.37 9.16 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.145 -178.975 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 93.9 mt -59.76 -31.27 69.5 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.16 -175.856 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 99.7 m-20 -72.9 -15.67 61.58 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.134 178.967 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 70.0 m-20 -92.21 -4.84 53.56 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.125 -0.488 . . . . 0.0 111.152 179.157 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 53.9 t0 -68.4 128.28 36.02 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.161 174.091 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 156.36 -164.03 32.28 Favored Glycine 0 CA--C 1.522 0.509 0 N-CA-C 111.185 -0.766 . . . . 0.0 111.185 -178.491 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 73.6 m-80 -97.63 110.2 22.81 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.989 0.423 . . . . 0.0 111.113 -173.826 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 80' ' ' TYR . . . . . . . . . . . . . 75.0 m-85 -81.73 60.36 4.62 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.149 172.615 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 76.0 m -65.03 135.73 55.94 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.209 -176.15 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 42.4 pt -121.31 159.77 23.14 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.152 -176.865 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 83' ' ' MET . . . . . . . . . . . . . 60.0 tpp -133.01 117.39 17.56 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.286 -0.415 . . . . 0.0 111.331 178.259 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 84' ' ' ALA . . . . . 0.429 ' HB1' ' HB2' ' A' ' 37' ' ' PRO . . . -95.09 106.76 18.79 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.38 -0.373 . . . . 0.0 110.972 174.808 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -114.11 133.94 55.22 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.312 -0.404 . . . . 0.0 111.258 -172.774 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 86' ' ' ASN . . . . . 0.642 ' HB2' ' CD ' ' A' ' 87' ' ' PRO . 23.7 p-10 -140.76 -179.87 1.09 Allowed Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.026 0.441 . . . . 0.0 111.055 170.637 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 87' ' ' PRO . . . . . 0.642 ' CD ' ' HB2' ' A' ' 86' ' ' ASN . 78.5 Cg_exo -59.31 -25.39 78.17 Favored 'Trans proline' 0 N--CA 1.458 -0.594 0 C-N-CA 121.691 1.594 . . . . 0.0 111.23 -175.1 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 98.1 mm-40 -94.12 -4.97 48.28 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.236 -169.802 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 144.9 -162.31 28.08 Favored Glycine 0 CA--C 1.522 0.502 0 N-CA-C 111.24 -0.744 . . . . 0.0 111.24 -178.098 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 41.7 ptt180 -150.35 158.63 44.37 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.587 0.232 . . . . 0.0 111.153 179.574 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 13.5 p -142.95 137.76 27.07 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.376 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.15 174.623 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 89.9 p -99.27 165.87 11.48 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.257 -177.271 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 93' ' ' CYS . . . . . . . . . . . . . 46.7 t -158.63 130.03 6.45 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.37 172.335 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 91.9 m -81.21 125.45 30.31 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.356 -175.824 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -103.74 56.9 0.57 Allowed Glycine 0 CA--C 1.523 0.578 0 N-CA-C 111.139 -0.784 . . . . 0.0 111.139 -179.073 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -60.08 110.05 1.11 Allowed 'General case' 0 C--N 1.327 -0.385 0 CA-C-O 120.711 0.291 . . . . 0.0 111.158 -178.257 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 2.5 mp -119.86 140.14 51.3 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.357 -0.383 . . . . 0.0 111.202 174.468 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 98' ' ' MET . . . . . . . . . . . . . 65.5 ttp -120.91 139.39 53.29 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.165 -173.175 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 99' ' ' VAL . . . . . 0.407 ' HA ' ' O ' ' A' ' 19' ' ' ILE . 85.0 t -116.48 135.07 57.93 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.222 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.279 -176.118 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 84.7 mt-30 -107.64 143.36 36.22 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.046 179.573 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -75.12 152.78 38.49 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.172 179.887 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 102' ' ' VAL . . . . . . . . . . . . . 85.7 t -105.43 115.15 46.66 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.197 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.266 178.64 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 99.6 m-20 -69.42 -21.86 63.72 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.158 -175.052 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 104' ' ' GLN . . . . . . . . . . . . . 99.7 mm-40 -85.81 -4.93 59.29 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.336 -179.731 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 58.9 ttm-85 -74.12 115.07 13.18 Favored 'General case' 0 C--O 1.234 0.257 0 CA-C-N 115.958 -0.565 . . . . 0.0 111.306 177.878 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . -71.8 -16.5 76.29 Favored Glycine 0 CA--C 1.524 0.63 0 N-CA-C 111.286 -0.725 . . . . 0.0 111.286 -177.53 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 99.8 mtt180 -90.28 -4.7 57.0 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 120.702 0.287 . . . . 0.0 111.127 179.6 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 41.6 t . . . . . 1 C--O 1.002 -11.956 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.266 -179.583 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.524 0.594 0 N-CA-C 111.19 -0.764 . . . . 0.0 111.19 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 65.13 -131.35 35.99 Favored Glycine 0 CA--C 1.523 0.588 0 N-CA-C 111.347 -0.701 . . . . 0.0 111.347 -179.892 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 93.5 p -159.9 168.97 24.52 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 120.653 0.263 . . . . 0.0 111.093 -179.986 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 62.2 t30 55.28 45.0 26.56 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.156 179.881 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -155.37 155.06 32.96 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.209 -179.282 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 88.3 m -140.0 129.66 24.41 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.246 -178.366 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -61.9 152.89 75.1 Favored Pre-proline 0 C--N 1.327 -0.403 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.143 -179.164 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 34.6 Cg_endo -63.93 146.56 91.56 Favored 'Trans proline' 0 N--CA 1.459 -0.535 0 C-N-CA 121.541 1.494 . . . . 0.0 111.269 179.688 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 87.2 t80 -163.36 140.03 7.17 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.317 -0.401 . . . . 0.0 111.208 -176.862 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 72.3 m-85 -89.89 99.17 12.23 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.126 175.938 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 20.2 pt-20 -75.99 -15.34 60.17 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.161 175.887 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 66.1 ttp -137.59 107.99 6.5 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.167 167.76 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 99.5 mttt -95.37 167.35 11.39 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.193 -169.46 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 92.7 mt -83.05 172.29 12.88 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.278 176.677 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 64.0 pttt -135.04 178.79 6.75 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.172 175.161 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 18.2 t-160 -72.84 108.75 5.96 Favored 'General case' 0 C--O 1.234 0.247 0 CA-C-N 116.094 -0.503 . . . . 0.0 111.118 176.078 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 77.8 m-85 -96.41 145.34 25.73 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.421 -0.354 . . . . 0.0 111.414 -176.281 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 99.0 mttt -135.2 139.74 44.76 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.31 -0.404 . . . . 0.0 111.209 177.057 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 10.0 tp -148.38 150.04 14.6 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-N 116.063 -0.517 . . . . 0.0 111.253 -178.229 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 14.9 m-30 -75.02 144.96 42.82 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.412 -0.358 . . . . 0.0 111.243 171.124 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 87.7 tt0 -54.98 124.96 18.42 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 121.027 0.442 . . . . 0.0 111.094 -177.724 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 104.3 -16.21 49.45 Favored Glycine 0 CA--C 1.524 0.613 0 N-CA-C 111.103 -0.799 . . . . 0.0 111.103 171.593 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 91.0 mtp -85.32 154.97 60.16 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 120.931 0.396 . . . . 0.0 111.286 -176.098 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 81.3 Cg_endo -74.91 153.82 42.49 Favored 'Trans proline' 0 N--CA 1.458 -0.615 0 C-N-CA 121.679 1.586 . . . . 0.0 111.289 177.879 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 48.4 t -134.95 123.92 41.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.088 -0.505 . . . . 0.0 111.21 178.285 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 80.8 p -118.45 128.09 54.28 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.085 -179.191 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 35.3 p90 -156.71 161.29 39.84 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.199 175.928 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 13.2 t -153.17 162.08 41.71 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.169 -172.177 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 37.4 t -147.21 147.6 30.63 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.104 -178.191 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 60.8 ttt85 -124.25 136.32 54.06 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.142 -173.93 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 26.9 m -111.87 160.7 11.08 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.432 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.184 -179.388 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -144.81 77.9 1.55 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.229 177.681 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -122.14 -171.7 14.0 Favored Glycine 0 CA--C 1.522 0.474 0 N-CA-C 111.24 -0.744 . . . . 0.0 111.24 176.746 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 34' ' ' ASN . . . . . 0.479 ' HA ' ' HA ' ' A' ' 35' ' ' PRO . 54.1 t-20 -155.25 105.87 2.24 Favored Pre-proline 0 CA--C 1.51 -0.575 0 CA-C-O 121.154 0.502 . . . . 0.0 110.935 178.741 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 35' ' ' PRO . . . . . 0.479 ' HA ' ' HA ' ' A' ' 34' ' ' ASN . 27.5 Cg_exo -70.88 157.16 95.43 Favored 'Cis proline' 0 N--CA 1.458 -0.609 0 C-N-CA 121.563 -2.266 . . . . 0.0 111.202 6.059 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 36' ' ' LYS . . . . . 0.412 ' HA ' ' HD3' ' A' ' 37' ' ' PRO . 98.6 mttt -56.49 126.11 68.62 Favored Pre-proline 0 C--N 1.331 -0.216 0 CA-C-N 116.092 -0.504 . . . . 0.0 111.036 179.766 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 37' ' ' PRO . . . . . 0.64 ' HA ' ' HB3' ' A' ' 86' ' ' ASN . 78.5 Cg_exo -56.72 145.46 82.33 Favored 'Trans proline' 0 N--CA 1.459 -0.556 0 C-N-CA 121.565 1.51 . . . . 0.0 111.234 -176.741 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 98.8 mttt -91.25 97.12 10.93 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.386 173.257 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 94.5 mt -61.28 120.05 6.43 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.144 -171.485 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 80.3 m-85 -112.13 147.65 35.65 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.239 173.609 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 41' ' ' TRP . . . . . . . . . . . . . 92.6 m95 -116.49 139.92 49.94 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-O 121.036 0.446 . . . . 0.0 111.235 178.919 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 42.7 p90 -151.9 146.44 25.65 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.101 -0.5 . . . . 0.0 111.222 170.002 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 13.1 tmtt? -110.11 109.97 20.68 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.194 -173.627 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 92.0 m-20 54.15 33.7 18.5 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.148 -176.963 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 96.83 -1.92 61.7 Favored Glycine 0 CA--C 1.524 0.633 0 N-CA-C 111.194 -0.762 . . . . 0.0 111.194 176.767 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 96.8 mttt -95.26 99.93 11.8 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.865 0.365 . . . . 0.0 111.153 -177.901 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 66.4 tt0 -50.62 127.53 18.19 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.298 -0.41 . . . . 0.0 111.166 -178.777 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 95.5 mt -96.25 124.07 48.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.203 -177.999 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 49' ' ' SER . . . . . 0.419 ' HA ' ' HD3' ' A' ' 50' ' ' PRO . 31.0 t -84.81 131.75 48.3 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.216 174.504 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 50' ' ' PRO . . . . . 0.419 ' HD3' ' HA ' ' A' ' 49' ' ' SER . 55.1 Cg_exo -54.09 137.12 69.42 Favored 'Trans proline' 0 N--CA 1.457 -0.636 0 C-N-CA 121.682 1.588 . . . . 0.0 111.184 178.156 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 97.8 mttt 59.11 57.65 3.42 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.264 -0.426 . . . . 0.0 111.229 178.401 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 14.1 t -94.99 -161.58 0.87 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.101 179.056 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 99.4 m-20 -55.12 -45.17 75.53 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.226 -178.235 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 54' ' ' HIS . . . . . . . . . . . . . 99.3 m-70 -136.52 -6.38 1.98 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.296 179.227 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 55' ' ' TYR . . . . . . . . . . . . . 21.9 m-30 -105.61 95.93 6.15 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.12 -172.427 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 97.9 m -96.43 123.24 40.01 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.116 179.685 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 98.7 mt -110.57 132.62 58.48 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.313 -0.403 . . . . 0.0 111.084 178.061 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 70.0 tp60 -130.0 110.12 11.41 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.041 174.913 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 40.8 ttm105 -101.8 99.94 10.23 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.249 -175.78 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 66.3 t0 -72.4 131.59 42.81 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.315 -0.402 . . . . 0.0 111.176 174.304 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 95.3 mt -67.75 -13.1 61.83 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.033 -0.53 . . . . 0.0 111.21 -175.459 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 99.3 m-20 -63.88 -26.78 68.76 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.394 -0.366 . . . . 0.0 111.055 177.095 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 128.42 3.35 5.67 Favored Glycine 0 CA--C 1.524 0.595 0 N-CA-C 110.961 -0.856 . . . . 0.0 110.961 177.331 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 89.4 m -108.77 137.34 46.86 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.796 0.331 . . . . 0.0 111.245 177.4 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 65' ' ' CYS . . . . . . . . . . . . . 35.9 t -134.6 134.88 41.75 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.109 175.092 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 48.9 m -110.05 146.62 35.04 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.175 -176.469 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 57.7 tp -124.48 111.72 16.04 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.225 172.681 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 56.1 m170 -108.82 122.64 47.6 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.331 -176.216 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 98.2 m -96.83 120.1 36.53 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.133 175.469 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 80.2 m -65.02 -45.12 86.8 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.06 -0.518 . . . . 0.0 111.237 -175.967 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -144.4 88.58 1.94 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.175 -175.884 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 47.3 t -77.13 109.06 10.67 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.186 -177.631 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 52.9 p -110.26 -178.72 3.58 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 116.322 -0.399 . . . . 0.0 111.111 179.538 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 97.2 mt -60.87 -28.69 69.05 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.054 -0.521 . . . . 0.0 111.163 -178.361 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 98.9 m-20 -76.88 -17.54 58.89 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.04 176.758 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 67.6 m-20 -94.92 -14.95 24.01 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.268 178.792 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 57.1 t0 -55.89 127.98 32.88 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.149 173.883 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 160.72 -163.62 34.22 Favored Glycine 0 CA--C 1.524 0.636 0 N-CA-C 111.163 -0.775 . . . . 0.0 111.163 -179.217 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 73.7 m-80 -106.38 108.99 20.78 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.928 0.394 . . . . 0.0 111.135 -174.502 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 80' ' ' TYR . . . . . . . . . . . . . 56.7 m-85 -84.0 70.22 10.43 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.214 177.568 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 85.5 m -64.87 135.19 55.45 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.241 -170.847 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 4.6 tt -108.5 139.97 28.87 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.141 -179.779 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 83' ' ' MET . . . . . . . . . . . . . 64.1 ttp -121.3 120.39 34.96 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.369 -176.4 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -88.73 69.41 8.72 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.348 -0.387 . . . . 0.0 111.039 175.676 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -78.92 124.05 27.86 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.313 -0.403 . . . . 0.0 111.234 -175.84 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 86' ' ' ASN . . . . . 0.64 ' HB3' ' HA ' ' A' ' 37' ' ' PRO . 27.1 p-10 -147.35 178.12 1.55 Allowed Pre-proline 0 C--N 1.329 -0.31 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.238 172.306 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 87' ' ' PRO . . . . . 0.612 ' CD ' ' HB2' ' A' ' 86' ' ' ASN . 76.8 Cg_exo -58.45 -25.05 72.05 Favored 'Trans proline' 0 N--CA 1.456 -0.722 0 C-N-CA 121.788 1.658 . . . . 0.0 111.233 -175.399 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 96.8 mm-40 -92.89 -5.21 51.4 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.16 -170.561 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 143.59 -154.24 25.4 Favored Glycine 0 CA--C 1.525 0.662 0 N-CA-C 111.243 -0.743 . . . . 0.0 111.243 179.953 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 40.5 ptt180 -155.95 149.28 24.64 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.551 0.215 . . . . 0.0 111.185 177.89 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 59.4 t -128.07 130.91 69.81 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.276 176.826 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 31.4 t -103.28 133.93 47.53 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.326 -179.566 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 93' ' ' CYS . . . . . . . . . . . . . 52.6 t -135.39 131.81 36.77 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.297 174.424 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 85.4 m -71.25 128.01 34.48 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.361 -0.382 . . . . 0.0 111.221 -173.708 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -101.61 58.22 0.64 Allowed Glycine 0 CA--C 1.524 0.641 0 N-CA-C 111.041 -0.824 . . . . 0.0 111.041 175.635 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 80.8 ttt180 -58.53 123.07 15.01 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.707 0.289 . . . . 0.0 111.244 -173.49 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 56.8 tp -130.14 114.18 15.4 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.078 172.121 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 98' ' ' MET . . . . . . . . . . . . . 98.3 mmm -99.93 141.28 32.96 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.13 -0.487 . . . . 0.0 111.107 179.731 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 85.9 t -116.38 119.45 61.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.047 -0.524 . . . . 0.0 111.242 -177.132 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 62.8 tp60 -91.26 120.66 32.35 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.092 -0.504 . . . . 0.0 111.158 178.158 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -68.12 120.12 13.81 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.135 173.746 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 102' ' ' VAL . . . . . . . . . . . . . 67.9 t -128.16 114.42 34.44 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.157 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.161 179.497 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 99.3 m-20 -68.72 -22.73 64.32 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.046 -0.525 . . . . 0.0 111.19 -174.184 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 104' ' ' GLN . . . . . . . . . . . . . 98.9 mm-40 -83.77 -15.7 47.48 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.432 -179.654 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 23.5 tpp180 -77.53 109.43 11.46 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 115.856 -0.611 . . . . 0.0 111.25 178.865 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . -68.18 -17.87 70.54 Favored Glycine 0 CA--C 1.525 0.677 0 N-CA-C 111.243 -0.743 . . . . 0.0 111.243 -174.999 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 99.4 mtt180 -75.37 -21.46 58.29 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.955 0.407 . . . . 0.0 111.225 179.561 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 49.3 m . . . . . 1 C--O 1.0 -12.047 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.288 -178.972 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.524 0.644 0 N-CA-C 111.233 -0.747 . . . . 0.0 111.233 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 75.58 -154.94 46.26 Favored Glycine 0 CA--C 1.524 0.629 0 N-CA-C 111.301 -0.72 . . . . 0.0 111.301 -179.902 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 87.6 p -119.27 -2.77 10.6 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-O 120.802 0.334 . . . . 0.0 111.135 179.82 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 62.4 t30 55.01 45.04 27.22 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.303 -0.408 . . . . 0.0 111.182 -179.191 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -155.04 154.98 33.31 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.076 -0.511 . . . . 0.0 111.184 -178.9 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 87.3 m -140.0 127.73 21.83 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.079 -0.509 . . . . 0.0 111.274 -178.099 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -64.77 146.93 98.41 Favored Pre-proline 0 C--N 1.328 -0.347 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.197 178.394 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 76.5 Cg_exo -54.23 130.76 41.38 Favored 'Trans proline' 0 C--N 1.327 -0.579 0 C-N-CA 121.678 1.586 . . . . 0.0 111.117 -179.942 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 90.3 t80 -144.13 120.25 10.77 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.22 177.65 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 78.2 m-85 -68.71 83.94 0.29 Allowed 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.078 -0.51 . . . . 0.0 111.234 -179.377 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 16.5 pt-20 -64.89 -20.65 66.55 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.197 176.711 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 67.4 ttp -138.06 111.35 7.96 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.153 169.991 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 99.6 mttt -95.36 165.08 12.55 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.19 -172.242 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 90.4 mt -79.59 157.84 27.25 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.293 176.39 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 97.2 mttt -113.64 175.65 5.37 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.24 178.647 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 16.3 t-160 -78.03 106.65 10.04 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.147 173.227 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 76.1 m-85 -97.45 142.62 29.07 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.233 -173.015 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 99.6 mttt -136.6 119.39 16.2 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.294 -0.412 . . . . 0.0 111.239 178.239 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 2.8 pp -137.29 178.59 4.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.194 177.545 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 91.7 m-85 -102.27 145.85 28.85 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.237 -177.814 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 21' ' ' GLU . . . . . 0.499 ' HG3' ' O ' ' A' ' 21' ' ' GLU . 11.0 pt-20 -54.77 124.98 18.2 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.117 -176.455 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 101.17 -12.85 58.8 Favored Glycine 0 CA--C 1.524 0.634 0 N-CA-C 111.181 -0.767 . . . . 0.0 111.181 173.783 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 98.4 mmm -87.43 150.18 48.38 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 120.883 0.373 . . . . 0.0 111.361 -178.35 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 74.0 Cg_endo -71.32 154.33 61.25 Favored 'Trans proline' 0 N--CA 1.46 -0.498 0 C-N-CA 121.65 1.567 . . . . 0.0 111.264 173.961 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 8.3 p -152.07 130.1 2.59 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.365 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.147 176.256 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 87.2 m -112.09 130.0 56.03 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.244 179.814 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 35.2 p90 -148.46 150.38 33.36 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.246 176.832 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 9.3 t -150.83 155.86 40.07 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.308 -0.406 . . . . 0.0 111.123 -166.307 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 37.7 t -144.79 147.08 32.48 Favored 'General case' 0 C--O 1.234 0.244 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.192 -178.872 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 78.4 ttt180 -127.61 137.87 52.69 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.365 -0.379 . . . . 0.0 111.047 -173.431 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 60.6 t -124.99 125.91 70.33 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.222 -173.312 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -88.14 65.47 8.15 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.169 177.269 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -107.1 162.68 13.38 Favored Glycine 0 CA--C 1.523 0.538 0 N-CA-C 111.196 -0.761 . . . . 0.0 111.196 -177.466 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 34' ' ' ASN . . . . . 0.432 ' HA ' ' HA ' ' A' ' 35' ' ' PRO . 54.0 t-20 -155.06 108.28 2.29 Favored Pre-proline 0 CA--C 1.511 -0.52 0 CA-C-O 121.227 0.537 . . . . 0.0 110.927 178.795 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 35' ' ' PRO . . . . . 0.432 ' HA ' ' HA ' ' A' ' 34' ' ' ASN . 25.1 Cg_exo -74.64 163.35 90.69 Favored 'Cis proline' 0 N--CA 1.458 -0.601 0 C-N-CA 121.484 -2.298 . . . . 0.0 111.233 9.522 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 66.8 mmtt -54.43 117.25 12.77 Favored Pre-proline 0 C--O 1.232 0.176 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.021 179.288 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 37' ' ' PRO . . . . . 0.513 ' HA ' ' HB3' ' A' ' 86' ' ' ASN . 50.3 Cg_exo -58.59 148.3 82.45 Favored 'Trans proline' 0 N--CA 1.458 -0.579 0 C-N-CA 121.687 1.592 . . . . 0.0 111.234 -178.154 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 99.5 mttt -80.03 69.94 6.51 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.209 176.665 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 92.9 mt -41.96 118.45 0.21 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.23 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.181 -170.291 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 75.6 m-85 -107.35 149.51 27.76 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.33 -0.395 . . . . 0.0 111.365 175.938 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 41' ' ' TRP . . . . . . . . . . . . . 83.8 m95 -122.53 139.99 53.27 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-O 121.095 0.474 . . . . 0.0 111.175 176.932 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 42' ' ' PHE . . . . . 0.403 ' HB3' ' HA ' ' A' ' 47' ' ' GLN . 39.2 p90 -152.76 146.43 25.09 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.08 -0.509 . . . . 0.0 111.227 172.288 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 43' ' ' LYS . . . . . 0.421 ' HB2' HD11 ' A' ' 48' ' ' ILE . 11.7 tmtt? -110.04 109.99 20.74 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.241 -174.661 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 92.1 m-20 54.27 33.55 18.5 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.256 -176.54 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 96.25 -0.32 61.89 Favored Glycine 0 CA--C 1.524 0.646 0 N-CA-C 111.29 -0.724 . . . . 0.0 111.29 176.512 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 96.8 mttt -95.04 100.18 12.05 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.924 0.392 . . . . 0.0 111.172 -178.666 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 47' ' ' GLN . . . . . 0.403 ' HA ' ' HB3' ' A' ' 42' ' ' PHE . 66.3 tt0 -52.46 129.56 29.1 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.259 -178.195 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 48' ' ' ILE . . . . . 0.421 HD11 ' HB2' ' A' ' 43' ' ' LYS . 96.3 mt -105.12 124.99 60.22 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.055 -0.521 . . . . 0.0 111.044 -178.608 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 29.8 t -87.09 135.74 34.68 Favored Pre-proline 0 C--N 1.327 -0.379 0 CA-C-N 116.246 -0.433 . . . . 0.0 111.22 173.831 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_exo -54.81 142.41 74.41 Favored 'Trans proline' 0 N--CA 1.457 -0.628 0 C-N-CA 121.692 1.595 . . . . 0.0 111.242 178.206 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 97.8 mttt 59.4 56.71 3.64 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.344 -0.389 . . . . 0.0 111.211 178.447 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 12.6 t -94.86 -161.12 0.83 Allowed 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.344 178.251 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 99.4 m-20 -55.01 -45.94 75.15 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.268 -0.423 . . . . 0.0 111.225 -178.518 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 54' ' ' HIS . . . . . . . . . . . . . 99.8 m-70 -136.56 -6.39 1.97 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.389 177.995 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 55' ' ' TYR . . . . . . . . . . . . . 22.3 m-30 -101.15 93.16 5.32 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.117 -173.376 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 98.8 m -95.1 114.97 26.83 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.175 179.095 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 92.8 mt -106.81 115.15 47.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.345 -0.389 . . . . 0.0 111.148 -179.563 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 98.6 mm-40 -107.76 109.49 21.07 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.157 174.526 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 38.3 ttm105 -99.97 100.02 10.85 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.311 -0.404 . . . . 0.0 111.205 -176.498 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 62.8 t0 -73.17 135.84 44.69 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.355 -0.384 . . . . 0.0 111.24 176.352 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 95.5 mt -69.73 -10.2 57.4 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.114 -177.353 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 99.0 m-20 -67.05 -17.18 64.78 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.152 175.636 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 113.19 13.77 10.52 Favored Glycine 0 CA--C 1.525 0.679 0 N-CA-C 111.081 -0.807 . . . . 0.0 111.081 176.189 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 10.2 t -125.44 141.17 52.21 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.833 0.349 . . . . 0.0 111.191 179.247 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 65' ' ' CYS . . . . . . . . . . . . . 36.3 t -137.2 138.36 40.1 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.154 -177.49 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 42.3 t -118.35 126.73 52.72 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.25 -177.775 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 67' ' ' LEU . . . . . 0.599 ' C ' HD23 ' A' ' 67' ' ' LEU . 4.1 tt -100.15 82.6 2.55 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.147 177.293 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 70.6 t60 -73.24 120.03 18.3 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.357 -0.383 . . . . 0.0 111.349 179.983 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 89.5 m -100.57 121.04 40.93 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.052 -0.522 . . . . 0.0 111.11 177.283 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 80.6 m -69.55 -44.22 71.35 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.169 -175.1 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -144.93 87.84 1.86 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.213 -175.819 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 43.1 t -82.56 106.76 14.69 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.183 179.986 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 45.3 p -100.69 179.94 4.27 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.075 -0.511 . . . . 0.0 111.203 -178.434 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 94.0 mt -59.13 -32.21 69.64 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.107 -179.379 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 98.9 m-20 -74.99 -15.64 60.65 Favored 'General case' 0 N--CA 1.453 -0.287 0 CA-C-N 116.297 -0.411 . . . . 0.0 111.111 178.477 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 70.2 m-20 -95.19 -2.61 49.35 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.295 178.796 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 57.8 t0 -66.18 127.18 31.16 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.19 176.546 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 161.9 -163.47 34.79 Favored Glycine 0 CA--C 1.525 0.699 0 N-CA-C 111.289 -0.724 . . . . 0.0 111.289 -179.073 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 73.6 m-80 -105.48 109.16 21.03 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 120.861 0.362 . . . . 0.0 111.205 -173.517 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 80' ' ' TYR . . . . . . . . . . . . . 27.9 m-85 -83.68 70.02 10.25 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.088 178.099 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 88.3 m -64.77 134.64 54.56 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.226 -172.485 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 1.8 tt -107.45 140.07 27.03 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.266 -0.425 . . . . 0.0 111.146 177.373 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 83' ' ' MET . . . . . . . . . . . . . 65.9 ttp -122.47 119.94 32.44 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.316 -178.561 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -90.94 79.92 5.83 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.275 -0.421 . . . . 0.0 111.086 178.096 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -92.34 119.13 31.6 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.208 -175.64 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 86' ' ' ASN . . . . . 0.63 ' HB2' ' CD ' ' A' ' 87' ' ' PRO . 21.7 p-10 -140.12 179.89 1.16 Allowed Pre-proline 0 C--N 1.329 -0.289 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.221 172.624 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 87' ' ' PRO . . . . . 0.63 ' CD ' ' HB2' ' A' ' 86' ' ' ASN . 75.6 Cg_exo -58.93 -26.09 79.79 Favored 'Trans proline' 0 N--CA 1.456 -0.704 0 C-N-CA 121.706 1.604 . . . . 0.0 111.249 -174.895 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 96.8 mm-40 -90.24 -4.96 56.87 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.173 -171.976 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 138.53 -172.96 22.78 Favored Glycine 0 CA--C 1.523 0.587 0 N-CA-C 111.234 -0.746 . . . . 0.0 111.234 179.468 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 41.4 ptt180 -144.3 157.52 44.23 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.724 0.297 . . . . 0.0 111.074 -177.751 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 9.2 p -159.83 141.29 4.33 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.196 -179.868 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 67.7 m -111.31 152.12 27.59 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.292 -171.587 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 93' ' ' CYS . . . . . . . . . . . . . 44.0 t -140.46 135.0 31.54 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.314 172.985 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 87.3 m -70.17 129.36 39.18 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.164 -172.98 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -103.98 55.88 0.6 Allowed Glycine 0 CA--C 1.523 0.583 0 N-CA-C 111.211 -0.756 . . . . 0.0 111.211 176.701 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 78.5 ttt180 -53.52 113.19 1.08 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.671 0.272 . . . . 0.0 111.369 -175.407 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 61.4 tp -121.96 109.94 15.22 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.351 -0.386 . . . . 0.0 111.128 172.302 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 98' ' ' MET . . . . . . . . . . . . . 99.0 mmm -96.28 145.19 25.79 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.11 -0.495 . . . . 0.0 111.089 179.866 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 59.2 t -123.48 129.89 74.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-O 121.083 0.468 . . . . 0.0 111.057 -176.757 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 99.5 mm-40 -95.09 144.76 25.48 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 116.07 -0.514 . . . . 0.0 111.26 179.608 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -76.11 144.98 40.34 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.035 -0.53 . . . . 0.0 111.278 -179.389 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 102' ' ' VAL . . . . . . . . . . . . . 81.9 t -125.09 117.75 50.92 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.309 -0.405 . . . . 0.0 111.24 179.228 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 99.7 m-20 -69.54 -22.8 63.53 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.16 -174.565 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 104' ' ' GLN . . . . . . . . . . . . . 99.8 mm-40 -89.13 -4.91 58.14 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.371 -178.747 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 22.7 tpp180 -69.9 108.87 4.18 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.069 -0.514 . . . . 0.0 111.297 179.063 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . -70.24 -17.11 73.81 Favored Glycine 0 CA--C 1.526 0.766 0 N-CA-C 111.205 -0.758 . . . . 0.0 111.205 -176.959 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 99.8 mtt180 -90.58 -3.36 57.62 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.721 0.296 . . . . 0.0 111.142 -179.591 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 43.4 t . . . . . 1 C--O 1.003 -11.91 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.206 -179.596 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.523 0.591 0 N-CA-C 111.214 -0.755 . . . . 0.0 111.214 . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 2' ' ' GLY . . . . . 0.407 ' O ' ' HB2' ' A' ' 3' ' ' SER . . . 65.31 -124.98 28.63 Favored Glycine 0 CA--C 1.522 0.528 0 N-CA-C 111.383 -0.687 . . . . 0.0 111.383 -179.966 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 3' ' ' SER . . . . . 0.407 ' HB2' ' O ' ' A' ' 2' ' ' GLY . 28.6 t 174.93 35.06 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.873 0.368 . . . . 0.0 111.226 -177.189 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 96.4 m-20 64.91 34.98 8.67 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.086 -179.452 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -154.94 154.93 33.36 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.187 -178.74 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 85.9 m -140.03 128.28 22.51 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.08 -0.509 . . . . 0.0 111.446 -177.719 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -64.94 147.91 98.03 Favored Pre-proline 0 C--N 1.326 -0.45 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.173 178.702 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 63.4 Cg_exo -54.66 133.02 54.88 Favored 'Trans proline' 0 N--CA 1.459 -0.537 0 C-N-CA 121.64 1.56 . . . . 0.0 111.248 179.868 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 89.2 t80 -150.93 123.92 8.72 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.282 -0.417 . . . . 0.0 111.149 176.86 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 68.7 m-85 -68.98 84.98 0.33 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.172 179.494 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 16.6 pt-20 -63.8 -21.7 66.55 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.168 174.65 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 66.4 ttp -131.58 112.09 12.31 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.217 167.469 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 98.8 mttt -96.02 165.75 12.1 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.334 -170.264 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 94.1 mt -84.39 170.77 13.24 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.295 177.198 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 64.1 pttt -134.93 178.78 6.76 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.253 176.299 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 18.1 t-160 -72.27 108.14 5.26 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.076 -0.511 . . . . 0.0 111.172 174.477 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 85.1 m-85 -95.17 143.72 26.37 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.31 -0.404 . . . . 0.0 111.268 -175.827 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 99.1 mttt -133.96 138.13 45.28 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.364 177.692 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 10.5 tp -148.93 150.66 13.81 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.366 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.142 -178.1 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 59.6 m-85 -79.22 148.18 32.32 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.318 174.403 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 88.5 tt0 -54.6 123.3 12.73 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.209 -177.326 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 99.97 -13.2 60.65 Favored Glycine 0 CA--C 1.522 0.502 0 N-CA-C 111.254 -0.739 . . . . 0.0 111.254 171.542 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 97.8 mmm -84.98 154.49 60.82 Favored Pre-proline 0 C--N 1.328 -0.331 0 CA-C-O 120.839 0.352 . . . . 0.0 111.345 -176.651 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 72.6 Cg_endo -76.29 154.08 36.26 Favored 'Trans proline' 0 C--N 1.328 -0.504 0 C-N-CA 121.632 1.554 . . . . 0.0 111.192 -179.098 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 57.7 t -134.13 125.4 48.09 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.068 178.069 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 91.4 m -127.19 124.67 39.53 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.249 -179.125 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 51.5 p90 -158.36 164.98 35.81 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.198 172.64 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 11.6 t -146.32 161.65 39.86 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.136 -171.366 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 21.1 t -141.08 142.4 34.15 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.137 -177.941 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 44.2 ttm180 -123.09 137.18 54.99 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.295 -0.412 . . . . 0.0 111.215 -175.099 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 67.5 t -124.49 125.17 69.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.264 -173.717 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -86.61 65.24 8.93 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.254 177.95 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -108.61 160.17 13.83 Favored Glycine 0 CA--C 1.521 0.45 0 N-CA-C 111.231 -0.748 . . . . 0.0 111.231 -178.116 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 34' ' ' ASN . . . . . 0.433 ' HA ' ' HA ' ' A' ' 35' ' ' PRO . 54.1 t-20 -155.03 108.04 2.29 Favored Pre-proline 0 CA--C 1.51 -0.567 0 CA-C-O 121.217 0.532 . . . . 0.0 110.988 178.541 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 35' ' ' PRO . . . . . 0.433 ' HA ' ' HA ' ' A' ' 34' ' ' ASN . 24.6 Cg_exo -74.53 168.98 75.45 Favored 'Cis proline' 0 N--CA 1.456 -0.687 0 C-N-CA 121.579 -2.259 . . . . 0.0 111.211 9.348 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 3.1 mptp? -60.01 115.8 14.57 Favored Pre-proline 0 C--N 1.331 -0.197 0 CA-C-N 116.004 -0.544 . . . . 0.0 111.059 -178.872 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 37' ' ' PRO . . . . . 0.474 ' HA ' ' HB3' ' A' ' 86' ' ' ASN . 52.5 Cg_exo -59.06 150.85 70.49 Favored 'Trans proline' 0 N--CA 1.458 -0.613 0 C-N-CA 121.618 1.546 . . . . 0.0 111.246 -176.213 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 99.2 mttt -81.38 81.75 7.43 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.29 176.016 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 96.2 mt -59.87 123.68 12.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.094 -174.629 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 75.1 m-85 -117.63 144.95 44.69 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.244 174.32 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 41' ' ' TRP . . . . . . . . . . . . . 93.8 m95 -107.79 140.93 40.14 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.245 173.037 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 38.8 p90 -150.33 146.04 26.5 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.353 171.14 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 12.0 tmtt? -110.06 109.99 20.73 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.204 -173.083 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 89.5 m-20 53.79 33.23 16.48 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.144 -176.313 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 96.72 -0.24 60.94 Favored Glycine 0 CA--C 1.525 0.718 0 N-CA-C 111.026 -0.83 . . . . 0.0 111.026 176.673 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 96.9 mttt -95.09 100.33 12.17 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 120.747 0.308 . . . . 0.0 111.115 -178.512 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 66.3 tt0 -51.51 129.03 24.57 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.338 -0.392 . . . . 0.0 111.192 -178.024 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 94.4 mt -100.07 124.94 53.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.167 -179.331 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 30.3 t -87.84 133.03 38.45 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.269 174.296 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_exo -54.7 140.93 76.7 Favored 'Trans proline' 0 N--CA 1.457 -0.67 0 C-N-CA 121.683 1.589 . . . . 0.0 111.242 178.159 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 98.1 mttt 58.73 54.62 5.15 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.197 177.371 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 14.8 t -95.02 -162.19 0.93 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.231 178.488 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 99.6 m-20 -55.74 -45.83 77.94 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.29 -0.414 . . . . 0.0 111.168 -177.631 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 54' ' ' HIS . . . . . . . . . . . . . 99.4 m-70 -135.85 -4.93 2.2 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.11 -0.495 . . . . 0.0 111.206 179.565 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 55' ' ' TYR . . . . . . . . . . . . . 22.0 m-30 -107.38 95.5 5.75 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-O 121.131 0.491 . . . . 0.0 111.082 -173.437 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 98.0 m -99.07 124.51 44.13 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-N 116.059 -0.518 . . . . 0.0 111.11 179.751 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 96.2 mt -114.21 124.52 70.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.312 -0.404 . . . . 0.0 111.081 -179.312 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 99.2 mm-40 -103.84 133.77 48.26 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.133 173.813 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 99.6 mtt180 -116.0 105.79 13.04 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.367 -0.379 . . . . 0.0 111.173 -174.601 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 67.3 t0 -90.73 119.97 31.4 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.328 -0.397 . . . . 0.0 111.273 172.474 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 95.8 mt -70.14 -7.81 44.64 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.217 -170.576 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 96.8 m-20 -69.89 -16.96 63.32 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.322 -0.399 . . . . 0.0 111.014 176.804 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 120.51 22.68 3.03 Favored Glycine 0 CA--C 1.524 0.634 0 N-CA-C 111.024 -0.83 . . . . 0.0 111.024 179.249 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 35.1 m -125.53 142.84 51.29 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-O 120.844 0.354 . . . . 0.0 111.326 -179.145 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 65' ' ' CYS . . . . . . . . . . . . . 20.4 t -140.89 138.08 33.65 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.235 -0.438 . . . . 0.0 111.086 178.35 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 33.3 t -120.73 137.51 54.45 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.065 -0.516 . . . . 0.0 111.303 -174.62 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 64.9 tp -114.87 123.06 48.2 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.193 179.479 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 77.3 t60 -118.19 121.58 40.85 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.255 178.753 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 95.8 m -98.37 119.68 37.48 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.037 -0.529 . . . . 0.0 111.145 171.904 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 79.9 m -64.51 -45.11 88.65 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.277 -175.989 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -144.79 88.3 1.9 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.078 -0.51 . . . . 0.0 111.19 -176.626 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 47.6 t -76.48 107.25 8.62 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.016 -0.538 . . . . 0.0 111.203 -177.274 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 52.3 p -107.06 -179.73 4.02 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.209 -179.685 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 97.3 mt -61.69 -26.77 68.24 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.229 -178.188 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 98.8 m-20 -77.81 -17.81 57.05 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.099 176.132 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 69.0 m-20 -93.97 -13.97 26.44 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.218 178.639 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 57.1 t0 -56.83 127.29 30.93 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.203 174.855 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 161.62 -164.52 35.19 Favored Glycine 0 CA--C 1.525 0.698 0 N-CA-C 111.191 -0.764 . . . . 0.0 111.191 -179.736 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 74.2 m-80 -104.95 108.59 20.19 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-O 120.84 0.353 . . . . 0.0 111.227 -173.95 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 80' ' ' TYR . . . . . . . . . . . . . 52.8 m-85 -84.76 70.47 10.82 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.186 178.331 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 86.5 m -65.05 135.11 55.19 Favored 'General case' 0 C--O 1.234 0.261 0 CA-C-N 116.264 -0.425 . . . . 0.0 111.089 -172.938 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 2.7 tt -108.51 139.96 28.9 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.392 0 CA-C-O 120.968 0.413 . . . . 0.0 111.044 177.841 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 83' ' ' MET . . . . . . . . . . . . . 60.4 ttm -126.78 123.34 37.17 Favored 'General case' 0 C--N 1.332 -0.169 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.258 179.146 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -106.23 92.55 4.18 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.288 -0.415 . . . . 0.0 111.175 178.739 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -102.62 128.93 49.09 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.287 -173.934 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 86' ' ' ASN . . . . . 0.651 ' HB2' ' CD ' ' A' ' 87' ' ' PRO . 22.7 p-10 -141.45 -179.93 1.09 Allowed Pre-proline 0 C--N 1.326 -0.425 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.258 172.355 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 87' ' ' PRO . . . . . 0.651 ' CD ' ' HB2' ' A' ' 86' ' ' ASN . 71.5 Cg_exo -57.91 -25.82 71.52 Favored 'Trans proline' 0 N--CA 1.456 -0.699 0 C-N-CA 121.605 1.537 . . . . 0.0 111.418 -174.676 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 97.9 mm-40 -91.6 -5.11 54.49 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.029 -0.532 . . . . 0.0 111.083 -171.274 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 140.83 -169.15 25.02 Favored Glycine 0 CA--C 1.524 0.651 0 N-CA-C 111.27 -0.732 . . . . 0.0 111.27 -179.309 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 41.1 ptt180 -144.99 159.99 42.07 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.614 0.245 . . . . 0.0 111.224 -179.417 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 14.6 p -152.52 140.0 13.49 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.071 179.145 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 67.0 m -120.12 152.7 37.24 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.918 0.389 . . . . 0.0 111.369 -173.714 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 93' ' ' CYS . . . . . . . . . . . . . 45.5 t -147.42 139.83 24.6 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.284 175.671 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 86.5 m -77.71 127.27 32.18 Favored 'General case' 0 C--O 1.234 0.249 0 CA-C-N 116.302 -0.408 . . . . 0.0 111.321 -173.378 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -99.64 55.44 0.91 Allowed Glycine 0 CA--C 1.524 0.612 0 N-CA-C 111.166 -0.774 . . . . 0.0 111.166 177.355 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 79.9 ttt180 -52.35 115.34 1.7 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.642 0.258 . . . . 0.0 111.252 -177.639 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 61.3 tp -124.47 110.03 14.0 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.222 172.609 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 98' ' ' MET . . . . . . . . . . . . . 98.9 mmm -97.61 141.56 30.49 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.204 -179.951 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 76.3 t -117.22 128.71 74.5 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.264 -0.426 . . . . 0.0 111.205 -176.238 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 99.2 mm-40 -89.85 125.8 35.46 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.241 177.862 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -63.25 135.95 57.4 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.215 -177.592 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 102' ' ' VAL . . . . . . . . . . . . . 81.9 t -120.55 111.1 30.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.195 178.263 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 99.6 m-20 -70.34 -20.11 63.01 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.144 -175.818 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 104' ' ' GLN . . . . . . . . . . . . . 99.8 mm-40 -87.4 -4.55 59.03 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.336 -0.393 . . . . 0.0 111.292 -179.082 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 24.6 tpp180 -70.0 108.34 4.0 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.062 -0.517 . . . . 0.0 111.215 179.769 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . -69.82 -16.89 72.76 Favored Glycine 0 CA--C 1.524 0.645 0 N-CA-C 111.35 -0.7 . . . . 0.0 111.35 -177.215 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 99.9 mtt180 -90.7 -1.78 57.85 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.819 0.342 . . . . 0.0 111.2 -179.72 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 42.7 t . . . . . 1 C--O 0.999 -12.085 0 CA-C-N 116.291 -0.413 . . . . 0.0 111.249 -179.945 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.522 0.514 0 N-CA-C 111.22 -0.752 . . . . 0.0 111.22 . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 94.72 -142.26 15.96 Favored Glycine 0 CA--C 1.522 0.524 0 N-CA-C 111.341 -0.704 . . . . 0.0 111.341 179.539 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 91.8 p -147.28 173.6 12.42 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-O 120.589 0.233 . . . . 0.0 111.175 -179.156 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 96.5 m-20 64.82 34.99 8.88 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.377 -0.374 . . . . 0.0 111.168 -178.737 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -164.77 169.41 16.78 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.035 -0.529 . . . . 0.0 111.186 -178.155 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 88.6 m -123.81 119.2 29.01 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.266 -179.636 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -64.82 144.97 98.99 Favored Pre-proline 0 C--N 1.325 -0.474 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.187 -179.885 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 69.5 Cg_exo -54.84 129.71 36.65 Favored 'Trans proline' 0 N--CA 1.458 -0.583 0 C-N-CA 121.832 1.688 . . . . 0.0 111.236 -179.88 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 90.1 t80 -153.44 123.43 6.91 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.284 -0.416 . . . . 0.0 111.139 172.832 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 35.4 m-85 -70.09 93.32 0.8 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.083 -0.508 . . . . 0.0 111.143 -175.798 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 17.0 pt-20 -63.06 -20.08 65.0 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.15 174.423 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 66.6 ttp -136.1 101.5 4.73 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.143 171.9 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 98.8 mttt -88.12 167.74 13.38 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.22 -172.632 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 95.7 mt -79.16 154.84 28.99 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.209 176.949 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 97.5 mttt -115.01 179.76 3.86 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.087 -0.506 . . . . 0.0 111.247 177.009 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 19.9 t-160 -74.81 110.04 8.77 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.101 -0.499 . . . . 0.0 111.161 173.498 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 69.5 m-85 -101.58 147.44 26.4 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.331 -0.395 . . . . 0.0 111.16 -174.8 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 98.9 mttt -135.07 140.01 45.21 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.244 177.285 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 10.7 tp -150.0 149.56 14.44 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.369 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.035 -178.52 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 56.2 m-85 -77.43 145.93 36.85 Favored 'General case' 0 C--N 1.332 -0.179 0 CA-C-N 116.134 -0.484 . . . . 0.0 111.284 177.943 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 88.4 tt0 -55.43 124.25 16.56 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.2 -176.5 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 94.92 -10.53 70.21 Favored Glycine 0 CA--C 1.524 0.596 0 N-CA-C 111.213 -0.755 . . . . 0.0 111.213 172.616 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 95.9 mmm -90.55 153.12 45.83 Favored Pre-proline 0 C--N 1.327 -0.397 0 CA-C-O 120.895 0.378 . . . . 0.0 111.263 -176.148 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 72.1 Cg_endo -74.74 152.55 42.3 Favored 'Trans proline' 0 C--N 1.329 -0.497 0 C-N-CA 121.676 1.584 . . . . 0.0 111.208 178.489 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 8.8 p -152.63 134.23 5.38 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.173 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.129 176.6 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 82.0 m -119.86 135.32 54.92 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.012 -178.687 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 26.9 p90 -149.99 154.74 38.72 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.128 174.794 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 12.6 t -147.32 162.19 39.47 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.088 -0.506 . . . . 0.0 111.171 -168.384 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 34.1 t -147.44 147.78 30.58 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.303 -0.408 . . . . 0.0 111.186 -177.949 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 43.4 ttm180 -126.22 139.95 52.93 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.293 -0.412 . . . . 0.0 111.16 -175.809 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 10.6 p -124.81 133.62 68.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.195 -175.868 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -92.79 65.12 4.16 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.092 -0.504 . . . . 0.0 111.241 177.573 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -108.09 158.93 14.6 Favored Glycine 0 CA--C 1.521 0.435 0 N-CA-C 111.242 -0.743 . . . . 0.0 111.242 -176.649 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 34' ' ' ASN . . . . . 0.426 ' HA ' ' HA ' ' A' ' 35' ' ' PRO . 54.1 t-20 -154.88 108.89 2.32 Favored Pre-proline 0 CA--C 1.51 -0.558 0 CA-C-O 121.155 0.503 . . . . 0.0 110.986 177.18 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 35' ' ' PRO . . . . . 0.426 ' HA ' ' HA ' ' A' ' 34' ' ' ASN . 24.3 Cg_exo -74.54 165.9 84.3 Favored 'Cis proline' 0 N--CA 1.456 -0.701 0 C-N-CA 121.512 -2.287 . . . . 0.0 111.299 8.909 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 36' ' ' LYS . . . . . 0.411 ' HD2' ' N ' ' A' ' 36' ' ' LYS . 4.6 mptp? -59.6 115.76 13.91 Favored Pre-proline 0 C--N 1.332 -0.181 0 CA-C-N 115.988 -0.551 . . . . 0.0 111.035 -178.724 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 37' ' ' PRO . . . . . 0.574 ' HA ' ' HB3' ' A' ' 86' ' ' ASN . 50.5 Cg_exo -59.92 152.94 60.77 Favored 'Trans proline' 0 N--CA 1.459 -0.512 0 C-N-CA 121.594 1.53 . . . . 0.0 111.182 -176.111 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 99.7 mttt -82.59 70.11 9.5 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.502 177.29 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 77.8 mt -41.96 125.12 0.57 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.222 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.049 -175.633 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 77.6 m-85 -112.04 144.82 40.76 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.234 173.653 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 41' ' ' TRP . . . . . . . . . . . . . 93.6 m95 -109.48 138.81 45.28 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.179 172.203 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 34.7 p90 -152.45 145.86 24.83 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.073 -0.512 . . . . 0.0 111.319 170.992 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 12.1 tmtt? -109.92 109.95 20.73 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.284 -0.416 . . . . 0.0 111.295 -174.522 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 87.9 m-20 53.35 33.19 15.18 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.132 -175.557 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 96.71 0.33 60.69 Favored Glycine 0 CA--C 1.524 0.649 0 N-CA-C 111.082 -0.807 . . . . 0.0 111.082 176.525 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 97.4 mttt -94.93 101.57 13.35 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.872 0.368 . . . . 0.0 111.258 -178.695 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 66.3 tt0 -51.7 129.95 27.35 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.288 -0.414 . . . . 0.0 111.285 -177.265 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 96.1 mt -101.99 125.06 56.21 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.197 -179.557 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 49' ' ' SER . . . . . 0.424 ' HA ' ' HD3' ' A' ' 50' ' ' PRO . 30.3 t -88.75 135.0 32.69 Favored Pre-proline 0 C--N 1.327 -0.41 0 CA-C-N 116.295 -0.412 . . . . 0.0 111.176 175.516 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 50' ' ' PRO . . . . . 0.424 ' HD3' ' HA ' ' A' ' 49' ' ' SER . 53.1 Cg_exo -55.04 138.22 78.11 Favored 'Trans proline' 0 N--CA 1.46 -0.471 0 C-N-CA 121.565 1.51 . . . . 0.0 111.2 178.348 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 97.8 mttt 58.84 57.04 3.8 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.079 -0.509 . . . . 0.0 111.226 177.722 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 13.7 t -94.94 -161.53 0.87 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.228 178.48 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 99.6 m-20 -55.21 -45.34 75.9 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.304 -178.038 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 54' ' ' HIS . . . . . . . . . . . . . 99.4 m-70 -136.22 -5.13 2.1 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.433 179.291 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 55' ' ' TYR . . . . . . . . . . . . . 22.3 m-30 -106.26 94.95 5.43 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.103 -0.499 . . . . 0.0 111.108 -172.935 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 96.8 m -98.95 124.14 43.71 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.166 -179.734 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 96.6 mt -111.14 125.08 68.45 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.236 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.149 -177.765 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 99.2 mm-40 -103.92 136.6 43.27 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.267 172.374 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 62.2 mtp180 -121.18 97.7 5.64 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.322 -0.399 . . . . 0.0 111.232 -172.505 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 67.5 t0 -84.82 120.22 26.2 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.199 173.457 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 96.0 mt -71.54 -7.06 45.24 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.084 -0.507 . . . . 0.0 111.117 -170.187 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 96.4 m-20 -70.08 -16.54 63.14 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.372 -0.376 . . . . 0.0 111.066 176.414 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 120.66 23.37 2.83 Favored Glycine 0 CA--C 1.524 0.631 0 N-CA-C 111.041 -0.824 . . . . 0.0 111.041 179.044 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 47.2 m -126.3 139.93 52.92 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.83 0.348 . . . . 0.0 111.226 -179.424 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 65' ' ' CYS . . . . . . . . . . . . . 11.9 t -140.2 140.06 35.78 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.153 178.026 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 40.0 t -125.48 137.13 53.96 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.164 -174.104 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 66.9 tp -114.32 119.97 38.78 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.178 177.142 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 63.1 t60 -109.79 128.85 55.58 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.335 177.608 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 91.9 m -103.63 118.55 36.98 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.147 173.117 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 83.1 m -66.19 -43.3 87.22 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.236 -175.937 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -142.91 85.83 1.9 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.13 -176.762 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 46.8 t -78.37 106.43 10.29 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.039 -0.528 . . . . 0.0 111.17 -177.159 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 54.4 p -104.96 179.32 4.3 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.193 -179.767 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 97.0 mt -61.86 -26.18 67.99 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.048 -0.524 . . . . 0.0 111.257 -178.672 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 98.8 m-20 -76.85 -19.16 57.82 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.058 -0.519 . . . . 0.0 111.157 175.178 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 67.8 m-20 -93.14 -16.07 25.31 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.11 178.085 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 56.8 t0 -54.96 127.98 31.33 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.195 174.289 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 161.19 -163.94 34.63 Favored Glycine 0 CA--C 1.523 0.591 0 N-CA-C 111.247 -0.741 . . . . 0.0 111.247 -179.813 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 74.5 m-80 -104.94 108.12 19.46 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.89 0.376 . . . . 0.0 111.166 -174.183 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 80' ' ' TYR . . . . . . . . . . . . . 51.2 m-85 -84.32 69.92 10.54 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.088 -0.505 . . . . 0.0 111.264 178.072 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 88.3 m -64.08 133.93 53.96 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.164 -172.53 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 7.8 tt -107.74 140.04 27.53 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.319 -0.401 . . . . 0.0 111.19 177.789 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 83' ' ' MET . . . . . . . . . . . . . 67.1 ttp -131.38 117.06 18.36 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.373 -0.376 . . . . 0.0 111.224 179.872 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -92.39 85.32 5.34 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.343 -0.39 . . . . 0.0 111.106 177.12 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -95.13 131.64 40.93 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.321 -174.017 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 86' ' ' ASN . . . . . 0.627 ' HB2' ' CD ' ' A' ' 87' ' ' PRO . 26.2 p30 -146.6 178.23 1.51 Allowed Pre-proline 0 C--N 1.328 -0.365 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.142 171.93 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 87' ' ' PRO . . . . . 0.627 ' CD ' ' HB2' ' A' ' 86' ' ' ASN . 73.9 Cg_exo -59.01 -25.03 76.22 Favored 'Trans proline' 0 N--CA 1.459 -0.533 0 C-N-CA 121.743 1.629 . . . . 0.0 111.195 -175.073 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 93.6 mm-40 -93.5 -5.05 50.0 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.081 -0.509 . . . . 0.0 111.279 -169.977 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 145.35 -166.86 27.57 Favored Glycine 0 CA--C 1.522 0.505 0 N-CA-C 111.264 -0.735 . . . . 0.0 111.264 -178.22 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 41.2 ptt180 -151.36 159.94 44.02 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-O 120.63 0.252 . . . . 0.0 111.148 179.035 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 11.5 p -147.14 137.04 16.91 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.394 0 CA-C-N 116.305 -0.407 . . . . 0.0 111.279 174.819 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 70.0 m -118.79 151.51 37.91 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.264 -0.425 . . . . 0.0 111.303 -174.152 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 93' ' ' CYS . . . . . . . . . . . . . 53.8 t -150.2 135.53 18.04 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.313 -0.403 . . . . 0.0 111.305 176.087 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 86.3 m -71.17 129.83 39.91 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.306 -175.35 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -102.13 55.62 0.7 Allowed Glycine 0 CA--C 1.524 0.604 0 N-CA-C 111.198 -0.761 . . . . 0.0 111.198 177.792 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 79.6 ttt180 -51.66 114.21 1.2 Allowed 'General case' 0 C--N 1.326 -0.433 0 CA-C-O 120.706 0.288 . . . . 0.0 111.246 -177.511 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 65.2 tp -123.5 110.46 15.1 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.32 -0.4 . . . . 0.0 111.214 171.861 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 98' ' ' MET . . . . . . . . . . . . . 98.8 mmm -97.26 140.86 31.11 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.238 179.991 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 98.9 t -115.26 126.49 72.84 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.294 -0.412 . . . . 0.0 111.312 -176.916 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 63.3 tt0 -100.06 122.76 43.43 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.097 179.1 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -60.31 111.2 1.46 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.148 179.985 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 102' ' ' VAL . . . . . 0.678 HG13 ' O ' ' A' ' 102' ' ' VAL . 8.9 p -103.48 96.16 4.4 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.154 -179.775 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 99.3 m-20 -77.89 -9.8 59.25 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.099 -0.5 . . . . 0.0 111.159 -178.011 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 104' ' ' GLN . . . . . . . . . . . . . 99.7 mm-40 -85.1 -10.4 56.86 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.323 -179.528 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 25.0 tpt180 -99.6 116.37 31.57 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.042 -0.526 . . . . 0.0 111.205 -179.19 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . -73.05 -19.82 79.75 Favored Glycine 0 CA--C 1.525 0.703 0 N-CA-C 111.267 -0.733 . . . . 0.0 111.267 -178.564 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 99.9 mtt180 -90.63 2.2 56.1 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.872 0.368 . . . . 0.0 111.209 178.967 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 41.2 t . . . . . 1 C--O 1.002 -11.965 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.223 179.437 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.523 0.533 0 N-CA-C 111.25 -0.74 . . . . 0.0 111.25 . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 64.97 -125.02 29.57 Favored Glycine 0 CA--C 1.522 0.482 0 N-CA-C 111.343 -0.703 . . . . 0.0 111.343 -179.95 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 40.7 t -179.32 75.04 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.698 0.285 . . . . 0.0 111.297 -177.771 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 62.6 t30 54.92 45.05 27.31 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.154 -179.18 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -154.98 155.04 33.49 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.012 -0.54 . . . . 0.0 111.108 -178.132 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 87.9 m -138.77 128.97 25.54 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.086 -0.507 . . . . 0.0 111.348 -177.104 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -63.16 150.67 88.35 Favored Pre-proline 0 C--N 1.325 -0.476 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.167 178.013 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 33.2 Cg_endo -64.94 136.46 48.72 Favored 'Trans proline' 0 N--CA 1.458 -0.594 0 C-N-CA 121.679 1.586 . . . . 0.0 111.205 -178.185 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 92.1 t80 -150.53 122.11 7.99 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.266 -0.425 . . . . 0.0 111.146 179.48 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 89.7 m-85 -70.88 83.66 0.66 Allowed 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.13 -0.487 . . . . 0.0 111.157 179.349 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 21.6 pt-20 -69.48 -15.92 63.36 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.046 -0.525 . . . . 0.0 111.218 177.25 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 65.6 ttp -138.62 107.2 5.87 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.078 -0.51 . . . . 0.0 111.214 167.336 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 99.2 mttt -92.06 165.59 13.1 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.275 -0.421 . . . . 0.0 111.372 -173.155 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 96.0 mt -81.0 149.6 29.23 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.136 174.139 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 96.5 mttt -107.31 168.59 9.12 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.074 -0.512 . . . . 0.0 111.156 179.994 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 22.9 t-160 -70.77 110.97 5.87 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.127 171.57 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 71.0 m-85 -99.99 143.19 30.49 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.374 -0.376 . . . . 0.0 111.185 -173.454 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 98.7 mttt -122.34 102.09 7.9 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.202 -179.565 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 42.7 mm -121.97 141.39 42.59 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.367 0 CA-C-N 116.099 -0.5 . . . . 0.0 111.218 -172.106 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 43.6 m-85 -73.61 147.05 44.17 Favored 'General case' 0 CA--C 1.519 -0.219 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.289 179.829 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 79.9 tt0 -55.03 120.14 6.48 Favored 'General case' 0 C--N 1.332 -0.155 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.271 -178.94 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 96.54 -12.31 66.34 Favored Glycine 0 CA--C 1.524 0.619 0 N-CA-C 111.127 -0.789 . . . . 0.0 111.127 175.44 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 24.4 ttt -80.05 134.59 55.97 Favored Pre-proline 0 C--N 1.328 -0.359 0 CA-C-O 120.812 0.339 . . . . 0.0 111.341 -178.464 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 60.4 Cg_endo -69.27 148.65 68.71 Favored 'Trans proline' 0 C--N 1.328 -0.51 0 C-N-CA 121.523 1.482 . . . . 0.0 111.213 176.394 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 7.1 p -146.67 134.59 15.22 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.221 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.093 179.325 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 85.7 m -115.77 130.12 56.72 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.214 174.86 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 30.9 p90 -141.19 154.89 46.06 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.081 -0.509 . . . . 0.0 111.107 176.676 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 10.7 t -148.27 155.81 41.78 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.242 -168.253 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 47.4 t -145.0 141.66 29.13 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.311 -0.404 . . . . 0.0 111.144 -176.113 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 58.0 ttt85 -120.01 132.19 55.39 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.08 -172.777 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 98.5 t -120.58 126.28 75.07 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.377 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.302 -175.876 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -87.38 65.12 8.56 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.059 -0.519 . . . . 0.0 111.289 177.606 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -107.11 158.99 14.84 Favored Glycine 0 CA--C 1.523 0.582 0 N-CA-C 111.151 -0.78 . . . . 0.0 111.151 -177.367 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 34' ' ' ASN . . . . . 0.433 ' HA ' ' HA ' ' A' ' 35' ' ' PRO . 54.2 t-20 -154.94 108.19 2.31 Favored Pre-proline 0 CA--C 1.511 -0.554 0 CA-C-O 121.149 0.5 . . . . 0.0 110.977 177.069 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 35' ' ' PRO . . . . . 0.433 ' HA ' ' HA ' ' A' ' 34' ' ' ASN . 24.0 Cg_exo -74.31 166.4 82.76 Favored 'Cis proline' 0 N--CA 1.455 -0.768 0 C-N-CA 121.749 -2.188 . . . . 0.0 111.323 8.443 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 5.0 mptp? -59.14 116.68 16.8 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.068 179.536 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 37' ' ' PRO . . . . . 0.513 ' HA ' ' HB3' ' A' ' 86' ' ' ASN . 77.3 Cg_exo -55.85 147.07 64.0 Favored 'Trans proline' 0 C--N 1.328 -0.526 0 C-N-CA 121.618 1.545 . . . . 0.0 111.218 -176.632 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 98.7 mttt -73.8 69.66 1.37 Allowed 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.383 175.279 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 44.0 mm -43.05 120.75 0.4 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.183 -170.517 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 82.4 m-85 -107.16 140.48 39.95 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.113 176.102 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 41' ' ' TRP . . . . . . . . . . . . . 91.7 m95 -113.86 135.17 54.26 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.061 -0.518 . . . . 0.0 111.219 174.999 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 33.7 p90 -153.24 146.21 24.52 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.088 -0.505 . . . . 0.0 111.242 173.147 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 12.6 tmtt? -110.01 110.0 20.77 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.182 -174.133 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 90.0 m-20 54.72 32.8 18.13 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.246 -0.433 . . . . 0.0 111.091 -176.257 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 95.85 -0.05 62.49 Favored Glycine 0 CA--C 1.525 0.706 0 N-CA-C 111.118 -0.793 . . . . 0.0 111.118 176.936 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 97.0 mttt -95.1 100.92 12.66 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.874 0.368 . . . . 0.0 111.19 -178.797 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 66.4 tt0 -50.92 128.72 21.95 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.25 -178.067 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 95.6 mt -98.45 125.06 51.88 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.381 0 CA-C-N 116.294 -0.412 . . . . 0.0 111.157 -178.452 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 49' ' ' SER . . . . . 0.411 ' HA ' ' HD3' ' A' ' 50' ' ' PRO . 31.1 t -84.15 131.07 52.08 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-N 116.266 -0.425 . . . . 0.0 111.131 174.161 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 50' ' ' PRO . . . . . 0.411 ' HD3' ' HA ' ' A' ' 49' ' ' SER . 54.3 Cg_exo -54.87 136.17 71.08 Favored 'Trans proline' 0 N--CA 1.457 -0.651 0 C-N-CA 121.849 1.699 . . . . 0.0 111.121 178.594 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 97.9 mttt 59.02 57.66 3.45 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-O 120.944 0.402 . . . . 0.0 111.183 178.372 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 14.9 t -94.96 -161.49 0.86 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.294 178.812 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 99.5 m-20 -55.03 -45.49 75.18 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.241 -177.941 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 54' ' ' HIS . . . . . . . . . . . . . 99.5 m-70 -136.73 -5.09 1.97 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.444 179.979 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 55' ' ' TYR . . . . . . . . . . . . . 22.0 m-30 -107.34 95.84 5.99 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.144 -173.007 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 97.1 m -99.12 118.61 36.25 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.164 -178.846 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 97.9 mt -102.88 130.54 52.8 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.313 -0.403 . . . . 0.0 111.185 179.179 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 70.4 tp60 -130.05 109.93 11.23 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.242 174.034 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 83.5 mtm180 -104.47 114.68 29.07 Favored 'General case' 0 C--O 1.235 0.301 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.16 -177.284 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 65.0 t0 -87.13 130.57 34.47 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 116.287 -0.415 . . . . 0.0 111.25 174.372 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 95.1 mt -65.82 -14.4 61.33 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.091 -0.504 . . . . 0.0 111.041 -176.324 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 30.3 t70 -61.17 -32.53 72.26 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.326 -0.397 . . . . 0.0 111.075 176.532 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 132.39 0.32 4.56 Favored Glycine 0 CA--C 1.525 0.696 0 N-CA-C 110.977 -0.849 . . . . 0.0 110.977 177.098 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 97.4 m -107.82 122.82 47.56 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.633 0.254 . . . . 0.0 111.318 177.73 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 65' ' ' CYS . . . . . . . . . . . . . 84.9 m -123.33 140.85 52.59 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.254 178.285 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 95.0 p -124.85 149.28 47.64 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.186 -173.063 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 57.6 tp -127.6 123.98 36.99 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.069 -0.514 . . . . 0.0 111.13 173.401 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 68.6 t60 -108.38 129.92 55.23 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.223 -179.662 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 99.2 m -104.64 114.71 29.1 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.053 -0.521 . . . . 0.0 111.154 172.102 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 82.6 m -67.41 -39.95 85.54 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.202 -175.725 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -137.46 87.32 2.26 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.298 -0.41 . . . . 0.0 111.104 -177.198 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 37.4 t -81.21 93.46 6.49 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.185 -178.14 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 43.8 p -101.08 178.1 4.76 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.127 -179.64 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 97.0 mt -62.29 -25.27 67.77 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.262 -177.763 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 98.6 m-20 -78.49 -19.31 53.3 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.203 175.349 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 68.1 m-20 -94.57 -12.77 26.86 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.206 178.511 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 57.9 t0 -55.42 128.94 36.67 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.227 172.852 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 160.55 -162.9 33.73 Favored Glycine 0 CA--C 1.524 0.598 0 N-CA-C 111.148 -0.781 . . . . 0.0 111.148 179.678 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 74.4 m-20 -107.21 106.32 16.73 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 121.03 0.443 . . . . 0.0 111.105 -173.911 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 80' ' ' TYR . . . . . . . . . . . . . 42.5 m-85 -81.71 70.8 8.68 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.001 -0.545 . . . . 0.0 111.279 177.531 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 87.7 m -65.13 134.72 54.37 Favored 'General case' 0 C--O 1.233 0.237 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.114 -170.654 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 1.4 tt -110.0 138.26 38.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.141 176.172 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 83' ' ' MET . . . . . . . . . . . . . 65.6 ttp -122.0 120.69 35.12 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.293 -176.899 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -91.66 82.52 5.27 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.078 177.153 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -95.06 118.24 31.53 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.291 -0.413 . . . . 0.0 111.197 -177.309 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 86' ' ' ASN . . . . . 0.647 ' HB2' ' CD ' ' A' ' 87' ' ' PRO . 24.8 p-10 -141.27 -179.98 1.1 Allowed Pre-proline 0 C--N 1.327 -0.376 0 CA-C-N 116.009 -0.541 . . . . 0.0 111.01 174.584 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 87' ' ' PRO . . . . . 0.647 ' CD ' ' HB2' ' A' ' 86' ' ' ASN . 75.8 Cg_exo -59.01 -24.9 75.6 Favored 'Trans proline' 0 N--CA 1.457 -0.666 0 C-N-CA 121.615 1.543 . . . . 0.0 111.307 -174.827 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 97.6 mm-40 -92.25 1.88 56.95 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.188 -172.846 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 130.61 -174.97 19.56 Favored Glycine 0 CA--C 1.522 0.519 0 N-CA-C 111.328 -0.709 . . . . 0.0 111.328 178.595 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 40.5 ptt180 -140.88 150.06 42.73 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.715 0.293 . . . . 0.0 111.237 -177.715 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 7.2 p -154.31 139.95 11.01 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.379 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.143 178.908 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 96.6 p -109.26 156.16 20.26 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.29 -0.414 . . . . 0.0 111.272 -172.399 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 93' ' ' CYS . . . . . . . . . . . . . 43.0 t -141.87 139.86 32.74 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.311 172.859 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 88.2 m -80.6 114.41 19.47 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.413 -170.4 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -85.03 65.85 3.97 Favored Glycine 0 CA--C 1.523 0.554 0 N-CA-C 111.301 -0.719 . . . . 0.0 111.301 174.712 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 80.7 ttt180 -64.89 107.94 1.62 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.603 0.239 . . . . 0.0 111.282 -174.004 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 56.5 tp -116.41 109.88 17.92 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.407 -0.36 . . . . 0.0 111.282 174.751 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 98' ' ' MET . . . . . . . . . . . . . 65.4 ttp -101.94 134.11 45.67 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.11 -179.324 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 95.0 t -110.58 129.87 64.93 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.219 0 CA-C-N 116.053 -0.521 . . . . 0.0 111.265 -174.353 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 65.0 tt0 -105.88 129.69 53.99 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.085 -0.507 . . . . 0.0 111.265 178.141 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -59.08 126.87 29.46 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.188 178.427 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 102' ' ' VAL . . . . . 0.611 HG13 ' O ' ' A' ' 102' ' ' VAL . 7.4 p -100.02 98.08 6.57 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.207 -178.473 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 99.5 m-20 -73.61 -12.22 60.68 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.203 -176.191 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 104' ' ' GLN . . . . . . . . . . . . . 89.0 mt-30 -72.09 -22.74 61.31 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.441 177.203 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 60.1 ttp180 -60.05 115.03 3.15 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.01 -0.541 . . . . 0.0 111.359 178.74 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . -69.78 -17.13 72.91 Favored Glycine 0 CA--C 1.524 0.648 0 N-CA-C 111.415 -0.674 . . . . 0.0 111.415 -178.218 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 99.9 mtt180 -89.93 -2.43 58.17 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.674 0.273 . . . . 0.0 111.107 179.833 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 42.5 t . . . . . 1 C--O 0.999 -12.102 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.244 179.512 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.523 0.577 0 N-CA-C 111.164 -0.774 . . . . 0.0 111.164 . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 65.03 -125.4 30.0 Favored Glycine 0 CA--C 1.522 0.512 0 N-CA-C 111.46 -0.656 . . . . 0.0 111.46 -179.827 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 95.4 p -172.87 -27.55 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 CA-C-O 120.692 0.282 . . . . 0.0 111.263 -177.545 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 96.3 m-20 63.94 34.85 11.25 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-O 120.971 0.415 . . . . 0.0 111.298 -178.248 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -156.32 154.99 31.49 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 115.993 -0.549 . . . . 0.0 111.179 -179.169 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 83.4 m -140.06 129.0 23.43 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.218 -177.273 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -62.62 151.37 84.04 Favored Pre-proline 0 C--N 1.327 -0.386 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.185 177.963 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 33.9 Cg_endo -65.19 136.19 46.6 Favored 'Trans proline' 0 N--CA 1.459 -0.524 0 C-N-CA 121.703 1.602 . . . . 0.0 111.134 -178.167 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 90.3 t80 -151.15 122.59 7.88 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.311 -0.404 . . . . 0.0 111.23 179.996 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 84.6 m-85 -70.49 84.16 0.59 Allowed 'General case' 0 C--N 1.332 -0.185 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.184 179.955 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 21.1 pt-20 -68.63 -15.17 63.44 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.188 176.816 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 66.0 ttp -137.15 102.62 4.88 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.214 166.986 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 98.9 mttt -87.57 168.77 12.76 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.176 -173.196 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 94.9 mt -82.72 150.27 26.81 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.194 176.713 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 97.0 mttt -104.83 166.21 10.54 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.353 -0.385 . . . . 0.0 111.209 176.185 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 19.3 t-160 -66.79 110.23 3.19 Favored 'General case' 0 C--O 1.234 0.268 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.061 172.132 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 60.7 m-85 -100.57 145.8 27.9 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 116.44 -0.345 . . . . 0.0 111.284 -173.98 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 98.9 mttt -135.69 139.3 43.57 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.168 176.687 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 9.5 tp -148.3 152.33 12.56 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-N 116.099 -0.5 . . . . 0.0 111.121 -177.623 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 47.2 m-85 -79.66 145.95 32.73 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.214 172.783 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 87.4 tt0 -55.01 125.07 18.87 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.272 -176.399 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 104.17 -17.79 47.16 Favored Glycine 0 CA--C 1.524 0.618 0 N-CA-C 111.221 -0.752 . . . . 0.0 111.221 172.673 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 97.7 mmm -83.33 152.72 64.96 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 120.686 0.279 . . . . 0.0 111.414 -175.385 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 72.1 Cg_endo -74.91 152.41 41.2 Favored 'Trans proline' 0 C--N 1.327 -0.586 0 C-N-CA 121.796 1.664 . . . . 0.0 111.218 178.61 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 42.1 t -136.05 125.51 39.68 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.116 179.354 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 89.7 m -117.92 126.99 53.41 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.151 178.604 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 29.8 p90 -151.91 155.71 38.64 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.21 175.921 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 10.4 t -149.62 158.18 43.93 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.082 -171.679 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 15.4 t -140.9 144.16 35.07 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.122 -177.119 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 58.2 ttt85 -122.31 133.75 54.67 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.358 -0.383 . . . . 0.0 111.169 -175.121 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 61.0 t -121.89 125.75 73.63 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.309 -173.969 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -88.02 65.4 8.21 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.121 -0.491 . . . . 0.0 111.312 177.296 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -107.45 160.48 14.05 Favored Glycine 0 CA--C 1.521 0.446 0 N-CA-C 111.325 -0.71 . . . . 0.0 111.325 -177.597 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 34' ' ' ASN . . . . . 0.428 ' HA ' ' HA ' ' A' ' 35' ' ' PRO . 54.1 t-20 -154.87 107.43 2.32 Favored Pre-proline 0 CA--C 1.51 -0.56 0 CA-C-O 121.254 0.55 . . . . 0.0 110.982 177.069 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 35' ' ' PRO . . . . . 0.428 ' HA ' ' HA ' ' A' ' 34' ' ' ASN . 24.9 Cg_exo -74.38 166.57 82.37 Favored 'Cis proline' 0 N--CA 1.456 -0.678 0 C-N-CA 121.525 -2.281 . . . . 0.0 111.279 9.064 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 4.8 mptp? -59.39 116.32 15.83 Favored Pre-proline 0 C--N 1.331 -0.224 0 CA-C-N 116.005 -0.543 . . . . 0.0 111.055 179.384 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 37' ' ' PRO . . . . . 0.513 ' HA ' ' HB3' ' A' ' 86' ' ' ASN . 64.1 Cg_exo -57.12 151.21 52.15 Favored 'Trans proline' 0 N--CA 1.459 -0.555 0 C-N-CA 121.785 1.657 . . . . 0.0 111.095 -176.342 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 99.6 mttt -79.43 67.02 5.05 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.093 -0.503 . . . . 0.0 111.415 175.351 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 84.9 mt -42.02 122.45 0.42 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.246 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.128 -171.617 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 80.7 m-85 -109.63 145.34 36.62 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.076 -0.511 . . . . 0.0 111.253 175.944 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 41' ' ' TRP . . . . . . . . . . . . . 94.5 m95 -114.66 139.79 49.36 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.213 173.934 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 35.8 p90 -153.36 145.58 23.86 Favored 'General case' 0 C--N 1.333 -0.128 0 CA-C-N 116.099 -0.5 . . . . 0.0 111.171 170.801 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 12.4 tmtt? -109.93 109.98 20.77 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.064 -0.516 . . . . 0.0 111.101 -174.301 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 93.5 m-20 54.05 33.25 17.22 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.178 -176.08 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 95.58 1.14 62.24 Favored Glycine 0 CA--C 1.527 0.794 0 N-CA-C 111.171 -0.772 . . . . 0.0 111.171 176.662 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 97.0 mttt -94.92 100.72 12.53 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.955 0.407 . . . . 0.0 111.204 -179.277 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 66.3 tt0 -51.64 129.68 26.5 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.241 -177.527 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 96.5 mt -102.09 124.62 56.08 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.229 0 CA-C-N 116.097 -0.501 . . . . 0.0 111.256 -179.141 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 49' ' ' SER . . . . . 0.422 ' HA ' ' HD3' ' A' ' 50' ' ' PRO . 30.0 t -90.43 137.24 27.56 Favored Pre-proline 0 C--N 1.327 -0.4 0 CA-C-N 116.49 -0.323 . . . . 0.0 111.246 174.465 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 50' ' ' PRO . . . . . 0.422 ' HD3' ' HA ' ' A' ' 49' ' ' SER . 53.3 Cg_exo -54.59 138.5 75.22 Favored 'Trans proline' 0 N--CA 1.456 -0.724 0 C-N-CA 121.802 1.668 . . . . 0.0 111.24 178.152 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 98.1 mttt 57.91 56.91 4.42 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.319 -0.4 . . . . 0.0 111.346 177.503 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 14.7 t -94.97 -162.39 0.94 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.084 -0.507 . . . . 0.0 111.257 178.879 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 99.5 m-20 -55.34 -45.73 76.4 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.222 -177.784 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 54' ' ' HIS . . . . . . . . . . . . . 99.3 m-70 -136.3 -5.03 2.08 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.072 -0.513 . . . . 0.0 111.286 179.571 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 55' ' ' TYR . . . . . . . . . . . . . 22.2 m-30 -108.05 96.24 6.23 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.157 -173.283 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 97.4 m -99.84 125.54 45.81 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.177 -179.299 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 95.9 mt -110.39 122.32 64.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.317 -179.026 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 99.4 mm-40 -102.39 132.42 48.41 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.186 172.77 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 99.8 mtt180 -115.26 108.11 16.15 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.296 -174.463 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 66.8 t0 -94.29 120.75 34.98 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.15 172.141 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 95.3 mt -67.36 -12.17 59.51 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.175 -172.373 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 22.3 t70 -65.32 -22.44 66.83 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.43 -0.35 . . . . 0.0 111.016 177.689 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 123.85 17.27 3.14 Favored Glycine 0 CA--C 1.524 0.653 0 N-CA-C 111.048 -0.821 . . . . 0.0 111.048 178.484 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 88.2 m -118.11 139.54 51.1 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-O 120.736 0.303 . . . . 0.0 111.311 177.171 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 65' ' ' CYS . . . . . . . . . . . . . 13.6 t -137.18 138.06 39.83 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.974 176.685 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 37.4 t -121.38 136.96 54.9 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.112 -0.494 . . . . 0.0 111.169 -174.364 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 62.3 tp -116.95 120.15 37.54 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.237 177.838 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 81.6 t60 -111.88 126.23 54.88 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.295 -0.412 . . . . 0.0 111.187 -178.644 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 98.4 m -98.13 117.49 32.62 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.013 172.008 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 82.4 m -63.37 -44.82 93.7 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.33 -176.127 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -143.61 87.83 1.96 Allowed 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.081 -0.509 . . . . 0.0 111.123 -176.856 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 48.4 t -75.68 107.5 7.88 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.191 -176.472 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 56.3 p -106.09 179.83 4.15 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.293 179.18 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 97.5 mt -61.6 -26.4 67.96 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.289 -178.264 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 99.7 m-20 -77.7 -20.24 53.91 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.175 175.432 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 69.9 m-20 -91.62 -11.12 38.02 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.022 -0.535 . . . . 0.0 111.161 177.988 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 57.4 t0 -59.7 126.44 27.61 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.246 172.966 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 161.13 -164.24 34.76 Favored Glycine 0 CA--C 1.525 0.657 0 N-CA-C 111.194 -0.762 . . . . 0.0 111.194 -179.041 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 74.2 m-20 -105.35 109.06 20.89 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.746 0.308 . . . . 0.0 111.162 -174.206 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 80' ' ' TYR . . . . . . . . . . . . . 61.9 m-85 -82.96 70.06 9.89 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.387 177.644 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 86.3 m -65.1 134.64 54.22 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.12 -171.989 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 1.7 tt -110.06 140.0 30.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.217 176.911 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 83' ' ' MET . . . . . . . . . . . . . 66.4 ttp -124.55 120.32 31.63 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.238 -178.601 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -92.32 84.46 5.18 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.077 177.514 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -95.08 119.51 33.71 Favored 'General case' 0 C--O 1.233 0.205 0 CA-C-N 116.092 -0.504 . . . . 0.0 111.275 -176.194 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 86' ' ' ASN . . . . . 0.642 ' HB2' ' CD ' ' A' ' 87' ' ' PRO . 24.8 p-10 -141.03 179.99 1.12 Allowed Pre-proline 0 C--N 1.329 -0.313 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.191 174.43 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 87' ' ' PRO . . . . . 0.642 ' CD ' ' HB2' ' A' ' 86' ' ' ASN . 77.7 Cg_exo -59.01 -25.04 76.26 Favored 'Trans proline' 0 N--CA 1.456 -0.709 0 C-N-CA 121.7 1.6 . . . . 0.0 111.272 -175.104 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 96.8 mm-40 -93.26 4.09 54.56 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.075 -0.511 . . . . 0.0 111.25 -172.52 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 128.97 -173.27 19.43 Favored Glycine 0 CA--C 1.522 0.528 0 N-CA-C 111.237 -0.745 . . . . 0.0 111.237 178.477 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 41.0 ptt180 -142.4 152.65 43.04 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-O 120.596 0.236 . . . . 0.0 111.283 -178.178 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 7.2 p -153.4 139.07 11.52 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.181 179.16 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 98.5 p -108.22 159.8 16.33 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.257 -173.096 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 93' ' ' CYS . . . . . . . . . . . . . 50.3 t -148.99 135.55 19.52 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.305 173.3 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 88.3 m -72.76 129.97 39.41 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.325 -0.398 . . . . 0.0 111.286 -172.291 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -103.59 55.3 0.64 Allowed Glycine 0 CA--C 1.524 0.65 0 N-CA-C 111.086 -0.806 . . . . 0.0 111.086 176.934 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 79.8 ttt180 -54.05 115.8 2.23 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 120.648 0.261 . . . . 0.0 111.305 -175.539 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 55.1 tp -125.43 112.22 16.02 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.333 -0.394 . . . . 0.0 111.118 171.082 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 98' ' ' MET . . . . . . . . . . . . . 98.8 mmm -97.34 141.65 30.18 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.248 179.718 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 64.8 t -117.91 124.95 73.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.182 -177.484 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 64.0 tt0 -100.01 127.15 46.26 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 121.093 0.473 . . . . 0.0 111.172 177.462 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -60.53 121.55 12.42 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-N 116.059 -0.519 . . . . 0.0 111.22 178.333 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 102' ' ' VAL . . . . . 0.573 HG13 ' O ' ' A' ' 102' ' ' VAL . 6.3 p -100.01 99.08 7.81 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.221 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.306 -179.276 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 99.4 m-20 -74.84 -8.24 55.86 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.104 -176.452 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 104' ' ' GLN . . . . . . . . . . . . . 99.8 mm-40 -83.8 -7.9 59.35 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.325 178.79 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 61.3 ttm-85 -72.68 118.79 16.03 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.018 -0.537 . . . . 0.0 111.217 176.958 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . -71.63 -18.94 77.58 Favored Glycine 0 CA--C 1.524 0.608 0 N-CA-C 111.343 -0.703 . . . . 0.0 111.343 -177.59 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 99.8 mtt180 -90.08 -3.2 58.07 Favored 'General case' 0 C--N 1.332 -0.165 0 CA-C-O 120.849 0.357 . . . . 0.0 111.083 -179.862 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 43.3 t . . . . . 1 C--O 1.001 -12.011 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.319 -179.873 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.523 0.568 0 N-CA-C 111.265 -0.734 . . . . 0.0 111.265 . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 82.55 -162.74 41.86 Favored Glycine 0 CA--C 1.524 0.648 0 N-CA-C 111.274 -0.731 . . . . 0.0 111.274 179.862 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 97.6 p -157.1 164.05 38.3 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-O 120.794 0.33 . . . . 0.0 111.145 -179.763 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 95.8 m-20 60.1 36.03 21.23 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.297 -0.411 . . . . 0.0 111.061 -179.463 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -164.96 161.95 20.29 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.261 -178.337 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 95.7 m -106.46 118.59 37.05 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.314 -0.403 . . . . 0.0 111.326 177.72 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -66.54 152.69 94.57 Favored Pre-proline 0 C--N 1.326 -0.426 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.137 -175.986 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_exo -54.97 132.73 53.96 Favored 'Trans proline' 0 N--CA 1.458 -0.595 0 C-N-CA 121.65 1.567 . . . . 0.0 111.363 178.833 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 90.2 t80 -154.16 121.44 5.73 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 120.954 0.407 . . . . 0.0 111.253 177.19 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 76.1 m-85 -69.74 87.36 0.51 Allowed 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.156 -179.976 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 16.8 pt-20 -64.82 -20.14 66.23 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.059 -0.519 . . . . 0.0 111.302 175.185 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 67.5 ttp -137.93 113.02 9.18 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 115.903 -0.59 . . . . 0.0 111.01 170.227 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 99.0 mttt -98.29 166.22 11.49 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.267 -170.196 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 94.2 mt -82.64 170.35 15.23 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.319 -0.401 . . . . 0.0 111.208 176.605 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 63.9 pttt -134.84 179.91 6.01 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.311 177.258 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 19.9 t-160 -71.96 111.34 7.13 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.09 176.206 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 77.4 m-85 -100.33 146.25 27.18 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.279 -177.184 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 99.1 mttt -133.9 138.8 45.77 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.209 178.035 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 9.9 tp -150.6 151.9 12.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.094 -178.953 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 54.2 m-85 -82.03 141.59 33.08 Favored 'General case' 0 CA--C 1.521 -0.154 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.328 172.135 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 21' ' ' GLU . . . . . 0.424 ' HG3' ' O ' ' A' ' 21' ' ' GLU . 14.5 pt-20 -53.48 125.03 16.54 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.38 -176.755 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 106.71 -16.99 39.75 Favored Glycine 0 CA--C 1.526 0.738 0 N-CA-C 111.118 -0.793 . . . . 0.0 111.118 173.711 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 98.0 mmm -86.47 153.62 56.1 Favored Pre-proline 0 C--N 1.327 -0.385 0 CA-C-O 120.823 0.344 . . . . 0.0 111.234 -176.741 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 73.1 Cg_endo -74.82 152.4 41.7 Favored 'Trans proline' 0 N--CA 1.457 -0.658 0 C-N-CA 121.71 1.606 . . . . 0.0 111.18 179.038 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 59.5 t -134.93 128.88 50.54 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.165 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.066 178.999 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 88.4 m -127.79 128.24 44.96 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.138 179.676 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 35.4 p90 -155.74 165.39 36.65 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.12 172.178 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 10.5 t -148.97 160.71 43.05 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.334 -170.318 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 35.5 t -147.37 141.97 26.59 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.433 -0.349 . . . . 0.0 111.163 -177.35 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 43.2 ttm180 -121.47 138.37 54.32 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.354 -0.385 . . . . 0.0 111.11 -171.202 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 87.4 t -124.96 125.1 69.05 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.082 -0.508 . . . . 0.0 111.331 -174.261 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -86.7 64.65 8.62 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.269 177.872 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -107.52 155.2 16.39 Favored Glycine 0 CA--C 1.521 0.466 0 N-CA-C 111.265 -0.734 . . . . 0.0 111.265 179.049 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 34' ' ' ASN . . . . . 0.443 ' HA ' ' HA ' ' A' ' 35' ' ' PRO . 54.1 t-20 -156.12 109.49 2.09 Favored Pre-proline 0 CA--C 1.511 -0.551 0 CA-C-O 121.183 0.516 . . . . 0.0 110.956 179.551 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 35' ' ' PRO . . . . . 0.443 ' HA ' ' HA ' ' A' ' 34' ' ' ASN . 58.1 Cg_endo -74.67 169.31 74.63 Favored 'Cis proline' 0 N--CA 1.457 -0.642 0 C-N-CA 121.58 -2.258 . . . . 0.0 111.205 5.127 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 36' ' ' LYS . . . . . 0.424 ' HA ' ' HD3' ' A' ' 37' ' ' PRO . 63.3 tttm -52.28 122.87 26.22 Favored Pre-proline 0 C--N 1.33 -0.257 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.067 178.906 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 37' ' ' PRO . . . . . 0.424 ' HD3' ' HA ' ' A' ' 36' ' ' LYS . 31.7 Cg_exo -61.16 162.31 20.14 Favored 'Trans proline' 0 N--CA 1.457 -0.652 0 C-N-CA 121.627 1.552 . . . . 0.0 111.262 177.951 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 99.4 mttt -78.03 69.57 4.27 Favored 'General case' 0 N--CA 1.454 -0.247 0 CA-C-O 120.916 0.388 . . . . 0.0 111.486 174.905 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 76.8 mt -70.41 135.2 28.64 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.196 0 CA-C-N 116.044 -0.526 . . . . 0.0 111.085 -171.483 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 40.3 p90 -146.82 165.72 28.84 Favored 'General case' 0 N--CA 1.456 -0.159 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.207 177.946 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 41' ' ' TRP . . . . . . . . . . . . . 70.7 m95 -113.76 150.03 34.01 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-O 121.086 0.469 . . . . 0.0 111.169 -179.226 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 39.0 p90 -152.05 145.81 25.06 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.017 -0.538 . . . . 0.0 111.313 170.064 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 12.7 tmtt? -110.16 109.87 20.53 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.233 -174.813 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 92.0 m-20 53.27 33.6 15.87 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.094 -176.615 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 97.11 -0.75 60.5 Favored Glycine 0 CA--C 1.524 0.636 0 N-CA-C 111.137 -0.785 . . . . 0.0 111.137 176.331 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 97.0 mttt -96.33 100.13 11.77 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.81 0.338 . . . . 0.0 111.06 -178.718 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 66.0 tt0 -52.34 129.87 29.52 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.318 -0.401 . . . . 0.0 111.172 -177.399 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 91.7 mt -99.32 125.27 52.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.185 -177.582 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 30.0 t -86.43 132.79 41.84 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-N 116.357 -0.383 . . . . 0.0 111.289 173.872 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 57.7 Cg_exo -55.03 140.39 80.09 Favored 'Trans proline' 0 N--CA 1.459 -0.556 0 C-N-CA 121.649 1.566 . . . . 0.0 111.191 179.324 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 98.1 mttt 57.72 57.26 4.33 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.287 177.903 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 12.2 t -94.96 -160.85 0.81 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.091 -0.504 . . . . 0.0 111.228 179.201 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 99.5 m-20 -56.43 -46.18 80.41 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.313 -0.403 . . . . 0.0 111.232 -178.152 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 54' ' ' HIS . . . . . . . . . . . . . 99.5 m-70 -136.11 -5.12 2.13 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.313 178.721 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 55' ' ' TYR . . . . . . . . . . . . . 22.1 m-30 -106.76 96.35 6.38 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.983 0.42 . . . . 0.0 111.15 -173.168 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 97.5 m -99.97 123.52 44.31 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.067 -0.515 . . . . 0.0 111.096 -179.196 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 94.6 mt -109.31 121.2 61.97 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.173 179.98 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 99.0 mm-40 -100.94 129.58 46.81 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.298 -0.41 . . . . 0.0 111.226 172.857 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 99.3 mtt180 -115.54 101.97 9.36 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.167 -175.685 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 67.6 t0 -86.77 120.66 28.3 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.365 -0.379 . . . . 0.0 111.157 174.536 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 95.2 mt -68.55 -9.84 51.94 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.029 -0.532 . . . . 0.0 111.187 -171.372 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 96.0 m-20 -65.03 -21.1 66.78 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.339 -0.392 . . . . 0.0 110.971 175.141 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 122.05 21.31 2.89 Favored Glycine 0 CA--C 1.524 0.623 0 N-CA-C 111.057 -0.817 . . . . 0.0 111.057 179.435 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 61.9 m -122.21 137.3 54.88 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 120.89 0.376 . . . . 0.0 111.194 -177.26 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 65' ' ' CYS . . . . . . . . . . . . . 97.3 m -130.01 136.31 49.25 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 116.055 -0.52 . . . . 0.0 111.088 177.824 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 37.4 t -124.56 137.31 54.41 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.017 -0.538 . . . . 0.0 111.122 -176.866 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 68.1 tp -117.22 122.08 42.99 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.164 179.711 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 79.1 t60 -115.34 124.41 51.18 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.297 -0.411 . . . . 0.0 111.351 178.756 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 94.8 m -99.45 119.66 38.35 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.05 172.07 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 82.3 m -61.95 -46.78 87.8 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.071 -0.513 . . . . 0.0 111.345 -176.337 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -144.63 88.36 1.91 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.016 -0.538 . . . . 0.0 111.107 -177.022 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 43.7 t -76.76 106.8 8.65 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.118 -177.225 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 50.6 p -104.51 179.3 4.31 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.245 -179.26 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 98.3 mt -61.26 -26.1 67.53 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 115.985 -0.552 . . . . 0.0 111.316 -178.295 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 98.8 m-20 -79.47 -17.59 53.87 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.069 -0.514 . . . . 0.0 111.071 177.049 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 68.7 m-20 -92.13 -12.01 34.09 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.273 179.072 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 56.5 t0 -55.26 128.14 32.66 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.324 175.306 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 162.24 -165.15 35.87 Favored Glycine 0 CA--C 1.523 0.582 0 N-CA-C 111.242 -0.743 . . . . 0.0 111.242 179.777 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 73.9 m-80 -105.6 108.39 19.88 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.887 0.375 . . . . 0.0 111.16 -174.281 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 80' ' ' TYR . . . . . . . . . . . . . 69.0 m-85 -85.0 70.06 10.88 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.18 178.439 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 88.7 m -68.9 135.04 50.42 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.093 -172.019 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 3.0 tt -107.51 138.77 32.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.146 175.467 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 83' ' ' MET . . . . . . . . . . . . . 59.0 ttm -125.68 129.63 49.94 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.328 -0.396 . . . . 0.0 111.364 179.377 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -98.49 65.33 1.62 Allowed 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.199 176.202 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -77.88 136.27 38.02 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.307 -175.118 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 86' ' ' ASN . . . . . 0.583 ' HB2' ' CD ' ' A' ' 87' ' ' PRO . 35.4 p30 -155.04 175.47 3.1 Favored Pre-proline 0 C--N 1.328 -0.327 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.116 171.273 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 87' ' ' PRO . . . . . 0.583 ' CD ' ' HB2' ' A' ' 86' ' ' ASN . 77.8 Cg_exo -58.02 -25.13 69.09 Favored 'Trans proline' 0 N--CA 1.455 -0.741 0 C-N-CA 121.769 1.646 . . . . 0.0 111.338 -175.725 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 96.6 mm-40 -91.01 -5.1 55.82 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.073 -0.512 . . . . 0.0 111.24 -172.974 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 142.56 177.87 18.0 Favored Glycine 0 CA--C 1.523 0.585 0 N-CA-C 111.283 -0.727 . . . . 0.0 111.283 -179.569 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 40.5 ptt180 -144.54 153.79 42.2 Favored 'General case' 0 C--O 1.234 0.286 0 CA-C-O 120.631 0.253 . . . . 0.0 111.143 -177.555 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 9.2 p -153.72 137.49 8.51 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.401 0 CA-C-N 116.314 -0.403 . . . . 0.0 111.07 177.67 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 98.7 p -111.94 155.37 23.82 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.265 -175.461 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 93' ' ' CYS . . . . . . . . . . . . . 52.8 t -143.17 127.35 17.56 Favored 'General case' 0 C--O 1.236 0.375 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.292 173.504 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 90.3 m -68.97 128.44 36.71 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.408 -0.36 . . . . 0.0 111.315 -171.667 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -101.4 55.39 0.76 Allowed Glycine 0 CA--C 1.523 0.552 0 N-CA-C 111.239 -0.744 . . . . 0.0 111.239 176.412 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 79.5 ttt180 -52.1 114.8 1.43 Allowed 'General case' 0 C--N 1.327 -0.408 0 CA-C-O 120.866 0.365 . . . . 0.0 111.205 -177.222 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 61.4 tp -123.73 109.51 13.78 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.253 171.508 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 98' ' ' MET . . . . . . . . . . . . . 98.9 mmm -97.49 140.04 32.51 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.289 -0.414 . . . . 0.0 111.15 179.731 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 59.2 t -116.91 130.02 72.5 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-N 116.123 -0.489 . . . . 0.0 111.102 -175.607 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 99.5 mm-40 -101.42 144.89 29.66 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.222 179.365 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -76.65 146.14 38.35 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.399 -178.922 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 102' ' ' VAL . . . . . . . . . . . . . 81.5 t -109.75 114.08 45.98 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.327 -0.397 . . . . 0.0 111.216 177.56 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 98.8 m-20 -68.65 -24.57 64.55 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.31 -0.404 . . . . 0.0 111.098 -173.902 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 104' ' ' GLN . . . . . . . . . . . . . 99.8 mm-40 -87.49 -9.15 55.34 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.294 -0.412 . . . . 0.0 111.297 -177.399 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 60.6 ttm-85 -80.79 117.9 21.86 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.03 -0.532 . . . . 0.0 111.38 178.895 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . -69.95 -20.7 76.4 Favored Glycine 0 CA--C 1.523 0.533 0 N-CA-C 111.401 -0.68 . . . . 0.0 111.401 -177.972 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 99.8 mtt180 -92.88 1.6 57.21 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.7 0.286 . . . . 0.0 111.066 -179.862 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 48.0 t . . . . . 1 C--O 0.999 -12.082 0 CA-C-N 116.32 -0.4 . . . . 0.0 111.189 -178.882 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.523 0.558 0 N-CA-C 111.254 -0.739 . . . . 0.0 111.254 . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 55.15 -126.64 39.43 Favored Glycine 0 CA--C 1.524 0.603 0 N-CA-C 111.249 -0.741 . . . . 0.0 111.249 178.651 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 69.1 m -91.76 51.12 1.79 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.653 0.263 . . . . 0.0 111.091 175.246 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 62.5 t30 54.98 47.25 22.57 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.34 -0.391 . . . . 0.0 111.105 -178.227 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -155.0 154.99 33.38 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.068 -176.959 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 84.7 m -135.01 129.71 34.56 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.384 -177.893 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -58.66 153.43 41.21 Favored Pre-proline 0 C--N 1.326 -0.449 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.278 -178.906 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 28.6 Cg_endo -62.01 144.52 96.32 Favored 'Trans proline' 0 N--CA 1.455 -0.747 0 C-N-CA 121.678 1.586 . . . . 0.0 111.29 -179.968 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 84.4 t80 -159.99 140.18 11.68 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 120.871 0.367 . . . . 0.0 111.226 -175.209 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 79.0 m-85 -89.75 99.02 12.11 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.123 177.951 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 88.0 tt0 -57.12 -39.54 75.32 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.043 -0.526 . . . . 0.0 111.299 172.775 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 66.4 ttp -130.27 120.62 24.69 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.048 -0.523 . . . . 0.0 111.124 174.2 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 98.8 mttt -99.55 164.62 12.0 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.263 -171.851 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 96.0 mt -81.67 154.39 26.12 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.309 -179.768 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 97.4 mttt -114.97 -180.0 3.79 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.202 175.892 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 21.0 t-160 -75.03 111.67 10.49 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.119 173.586 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 68.5 m-85 -103.03 147.54 26.83 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.322 -0.399 . . . . 0.0 111.22 -174.529 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 98.9 mttt -135.48 139.91 44.41 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.286 177.307 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 10.4 tp -150.13 147.33 16.18 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.08 -179.391 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 38.5 m-85 -74.93 145.07 42.93 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.235 178.558 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 87.5 tt0 -54.71 122.16 10.08 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.15 -177.564 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 98.19 -13.1 63.49 Favored Glycine 0 CA--C 1.523 0.561 0 N-CA-C 111.261 -0.736 . . . . 0.0 111.261 173.267 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 97.8 mmm -88.23 152.47 50.32 Favored Pre-proline 0 C--N 1.33 -0.27 0 CA-C-O 120.844 0.354 . . . . 0.0 111.292 -176.164 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 74.3 Cg_endo -74.31 150.49 41.86 Favored 'Trans proline' 0 N--CA 1.457 -0.626 0 C-N-CA 121.769 1.646 . . . . 0.0 111.31 177.344 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 8.3 p -149.32 134.82 11.18 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.38 0 CA-C-N 116.275 -0.421 . . . . 0.0 111.135 176.618 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 85.2 m -120.86 134.46 55.29 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.087 -179.37 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 34.4 p90 -150.17 154.67 38.41 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.193 173.799 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 11.9 t -146.24 160.01 42.56 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.343 -166.9 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 29' ' ' CYS . . . . . 0.425 ' SG ' HD13 ' A' ' 82' ' ' ILE . 49.8 t -148.28 150.47 33.71 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.342 -0.39 . . . . 0.0 111.175 -178.701 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 59.1 ttt85 -125.42 132.08 52.8 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.286 -0.415 . . . . 0.0 111.121 -172.721 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 35.9 m -109.72 155.15 10.99 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.242 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.242 176.557 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -145.12 76.81 1.5 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.069 -0.514 . . . . 0.0 111.298 179.68 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -120.76 -167.3 13.3 Favored Glycine 0 CA--C 1.522 0.504 0 N-CA-C 111.344 -0.703 . . . . 0.0 111.344 177.765 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 34' ' ' ASN . . . . . 0.496 ' HA ' ' HA ' ' A' ' 35' ' ' PRO . 54.1 t-20 -155.18 106.12 2.25 Favored Pre-proline 0 CA--C 1.511 -0.555 0 CA-C-O 121.194 0.521 . . . . 0.0 110.942 179.142 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 35' ' ' PRO . . . . . 0.496 ' HA ' ' HA ' ' A' ' 34' ' ' ASN . 26.2 Cg_exo -69.65 156.37 92.53 Favored 'Cis proline' 0 N--CA 1.457 -0.656 0 C-N-CA 121.405 -2.331 . . . . 0.0 111.377 3.838 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 36' ' ' LYS . . . . . 0.407 ' HA ' ' HD3' ' A' ' 37' ' ' PRO . 98.9 mttt -55.76 125.21 60.9 Favored Pre-proline 0 C--N 1.33 -0.279 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.146 178.385 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 37' ' ' PRO . . . . . 0.635 ' HA ' ' HB3' ' A' ' 86' ' ' ASN . 77.7 Cg_exo -56.56 144.91 83.38 Favored 'Trans proline' 0 N--CA 1.457 -0.638 0 C-N-CA 121.783 1.656 . . . . 0.0 111.188 -176.272 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 98.7 mttt -88.76 100.03 12.82 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.29 173.872 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 86.2 mt -64.28 117.14 4.47 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.328 -0.396 . . . . 0.0 111.027 -171.899 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 82.5 m-85 -111.73 148.29 33.8 Favored 'General case' 0 C--O 1.234 0.242 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.23 172.738 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 41' ' ' TRP . . . . . . . . . . . . . 91.4 m95 -116.1 140.18 49.54 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.187 179.006 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 46.5 p90 -152.52 147.54 26.33 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.255 169.603 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 11.2 tmtt? -110.01 108.56 18.84 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.188 -173.382 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 60.4 m-20 45.49 42.66 8.11 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.301 -0.409 . . . . 0.0 111.134 -176.795 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 98.18 -2.88 59.77 Favored Glycine 0 CA--C 1.523 0.584 0 N-CA-C 111.189 -0.764 . . . . 0.0 111.189 173.333 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 96.0 mttt -98.56 97.83 9.08 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.811 0.339 . . . . 0.0 111.239 -177.301 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 66.4 tt0 -51.3 129.72 25.36 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.318 -179.116 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 94.2 mt -100.73 124.11 54.12 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.284 -0.417 . . . . 0.0 111.197 -178.084 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 49' ' ' SER . . . . . 0.408 ' HA ' ' HD3' ' A' ' 50' ' ' PRO . 29.5 t -92.05 135.89 26.64 Favored Pre-proline 0 C--N 1.328 -0.346 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.198 175.735 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 50' ' ' PRO . . . . . 0.408 ' HD3' ' HA ' ' A' ' 49' ' ' SER . 50.7 Cg_exo -54.95 143.56 71.93 Favored 'Trans proline' 0 N--CA 1.456 -0.701 0 C-N-CA 121.739 1.626 . . . . 0.0 111.173 176.813 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 98.2 mttt 57.57 53.02 7.7 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.175 176.757 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 13.9 t -94.9 -162.0 0.91 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.101 -0.5 . . . . 0.0 111.159 178.552 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 99.4 m-20 -55.78 -46.95 77.83 Favored 'General case' 0 N--CA 1.454 -0.257 0 CA-C-O 121.039 0.447 . . . . 0.0 111.326 -177.999 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 54' ' ' HIS . . . . . . . . . . . . . 99.2 m-70 -136.15 -5.02 2.12 Favored 'General case' 0 C--O 1.234 0.285 0 CA-C-N 115.993 -0.549 . . . . 0.0 111.255 179.39 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 55' ' ' TYR . . . . . . . . . . . . . 22.3 m-30 -105.19 105.23 15.17 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.073 -173.278 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 98.5 m -106.53 124.62 49.88 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.165 179.028 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 95.7 mt -111.01 122.05 64.79 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 CA-C-N 116.356 -0.384 . . . . 0.0 111.198 179.472 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 97.2 mm-40 -115.16 105.0 12.41 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.081 -0.509 . . . . 0.0 111.273 174.617 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 40.4 ttm105 -100.89 100.02 10.6 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.115 -175.375 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 65.8 t0 -73.64 130.76 40.69 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.06 -0.518 . . . . 0.0 111.206 173.496 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 95.0 mt -66.79 -14.61 62.82 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.189 -174.26 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 22.0 t70 -63.53 -28.02 69.66 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.424 -0.353 . . . . 0.0 111.167 178.105 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 133.33 -4.59 4.87 Favored Glycine 0 CA--C 1.525 0.671 0 N-CA-C 111.109 -0.796 . . . . 0.0 111.109 175.869 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 98.8 m -101.46 134.59 44.32 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.862 0.363 . . . . 0.0 111.27 178.034 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 65' ' ' CYS . . . . . . . . . . . . . 48.6 t -134.8 132.44 38.69 Favored 'General case' 0 C--O 1.235 0.303 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.166 175.848 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 29.5 t -108.63 140.03 42.57 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.341 -0.39 . . . . 0.0 111.276 -177.615 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 64.9 tp -113.46 119.53 37.9 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.996 -0.547 . . . . 0.0 111.117 172.101 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 70.4 t60 -110.62 129.95 55.69 Favored 'General case' 0 C--N 1.332 -0.165 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.155 179.819 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 94.8 m -105.91 118.57 36.95 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.078 -0.51 . . . . 0.0 111.117 172.121 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 80.5 m -65.74 -43.6 88.51 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.229 -175.56 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -142.82 85.93 1.91 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.068 -0.514 . . . . 0.0 111.138 -176.677 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 48.1 t -78.38 107.35 10.95 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.176 -177.269 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 54.0 p -105.61 178.34 4.59 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.066 -0.515 . . . . 0.0 111.129 -179.809 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 95.5 mt -61.79 -25.59 67.58 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.216 -178.413 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 98.7 m-20 -76.44 -20.25 57.25 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.171 174.56 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 67.8 m-20 -92.16 -17.06 25.43 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.245 177.675 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 57.6 t0 -54.73 130.18 39.66 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.379 -0.373 . . . . 0.0 111.201 175.269 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 160.58 -148.84 17.55 Favored Glycine 0 CA--C 1.523 0.56 0 N-CA-C 111.139 -0.784 . . . . 0.0 111.139 179.174 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 44.4 m-80 -119.99 105.37 10.98 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.961 0.41 . . . . 0.0 111.145 -171.041 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 80' ' ' TYR . . . . . . . . . . . . . 32.0 m-85 -84.87 70.47 10.87 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.076 -0.511 . . . . 0.0 111.213 -179.301 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 87.0 m -63.02 133.67 54.93 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.168 -171.792 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 82' ' ' ILE . . . . . 0.425 HD13 ' SG ' ' A' ' 29' ' ' CYS . 6.0 tt -104.59 140.09 23.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.31 -0.405 . . . . 0.0 111.146 177.287 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 83' ' ' MET . . . . . . . . . . . . . 63.6 tpp -119.44 119.91 35.3 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.38 -0.373 . . . . 0.0 111.35 -177.44 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -88.45 71.89 8.93 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.031 174.717 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -83.16 125.07 31.13 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.273 -176.026 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 86' ' ' ASN . . . . . 0.635 ' HB3' ' HA ' ' A' ' 37' ' ' PRO . 27.3 p-10 -147.62 177.94 1.61 Allowed Pre-proline 0 C--N 1.329 -0.313 0 CA-C-N 116.049 -0.523 . . . . 0.0 111.102 173.324 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 87' ' ' PRO . . . . . 0.608 ' CD ' ' HB2' ' A' ' 86' ' ' ASN . 70.7 Cg_exo -59.17 -24.93 76.13 Favored 'Trans proline' 0 N--CA 1.457 -0.642 0 C-N-CA 121.571 1.514 . . . . 0.0 111.263 -175.136 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 96.9 mm-40 -94.49 1.96 55.72 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.068 -171.153 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 137.37 -162.14 25.36 Favored Glycine 0 CA--C 1.523 0.559 0 N-CA-C 111.319 -0.712 . . . . 0.0 111.319 179.362 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 40.8 ptt180 -152.36 145.59 24.68 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.71 0.291 . . . . 0.0 111.172 178.356 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 60.6 t -134.24 130.17 54.18 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.185 177.206 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 90.7 p -95.3 157.31 15.95 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.293 -179.429 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 93' ' ' CYS . . . . . . . . . . . . . 51.8 t -150.73 129.99 12.79 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.169 170.831 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 89.2 m -66.83 127.5 32.71 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.247 -172.828 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -100.03 57.02 0.82 Allowed Glycine 0 CA--C 1.524 0.613 0 N-CA-C 111.165 -0.774 . . . . 0.0 111.165 175.772 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 80.1 ttt180 -52.95 113.45 1.1 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.763 0.316 . . . . 0.0 111.304 -176.231 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 63.8 tp -123.83 110.22 14.6 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.102 172.343 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 98' ' ' MET . . . . . . . . . . . . . 98.8 mmm -97.17 144.3 27.14 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.251 179.904 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 96.5 t -114.44 130.2 69.16 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.385 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.22 -177.167 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 96.5 mm-40 -102.06 153.73 19.63 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.118 -174.758 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -73.15 146.47 45.62 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.184 178.716 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 102' ' ' VAL . . . . . . . . . . . . . 78.7 t -103.09 120.83 53.52 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.2 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.249 -179.822 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 99.0 m-20 -65.8 -28.14 68.79 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.206 -173.513 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 104' ' ' GLN . . . . . . . . . . . . . 99.8 mm-40 -87.16 -7.77 57.63 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-O 121.071 0.462 . . . . 0.0 111.55 -178.67 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 61.1 ttm-85 -78.45 115.34 18.09 Favored 'General case' 0 C--N 1.333 -0.147 0 CA-C-N 115.894 -0.594 . . . . 0.0 111.322 178.619 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . -69.51 -18.9 74.1 Favored Glycine 0 CA--C 1.522 0.507 0 N-CA-C 111.289 -0.725 . . . . 0.0 111.289 -177.97 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 99.9 mtt180 -90.56 -2.02 57.89 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.843 0.354 . . . . 0.0 111.159 -179.882 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 43.2 t . . . . . 1 C--O 1.0 -12.053 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.238 -179.864 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.523 0.558 0 N-CA-C 111.23 -0.748 . . . . 0.0 111.23 . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 65.03 -126.29 31.34 Favored Glycine 0 CA--C 1.523 0.567 0 N-CA-C 111.283 -0.727 . . . . 0.0 111.283 179.717 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 26.8 t -144.9 84.91 1.74 Allowed 'General case' 0 C--N 1.326 -0.441 0 CA-C-O 120.765 0.317 . . . . 0.0 111.333 179.374 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 62.6 t30 55.0 45.86 25.5 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.331 -0.395 . . . . 0.0 111.116 -179.758 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -155.0 154.96 33.33 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.09 -0.504 . . . . 0.0 111.137 -178.606 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 85.3 m -139.89 127.29 21.4 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.325 -178.266 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -65.45 150.48 95.84 Favored Pre-proline 0 C--N 1.325 -0.457 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.273 179.654 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 57.7 Cg_exo -55.0 135.8 70.24 Favored 'Trans proline' 0 N--CA 1.458 -0.61 0 C-N-CA 121.768 1.645 . . . . 0.0 111.209 179.535 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 90.0 t80 -154.27 123.87 6.62 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.37 -0.377 . . . . 0.0 111.192 178.469 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 72.1 m-85 -70.1 86.19 0.55 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.099 179.899 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 15.7 pt-20 -65.0 -21.33 66.83 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.269 172.112 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 67.1 ttp -133.34 113.52 12.67 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.086 -0.507 . . . . 0.0 111.118 168.287 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 99.0 mttt -96.75 165.89 11.91 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.259 -170.613 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 96.2 mt -83.39 171.89 13.03 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.14 177.183 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 64.1 pttt -134.9 178.85 6.7 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.176 175.336 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 18.0 t-160 -72.33 108.21 5.33 Favored 'General case' 0 C--O 1.234 0.245 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.123 174.618 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 85.7 m-85 -95.26 143.98 26.21 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.487 -0.324 . . . . 0.0 111.285 -175.79 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 98.9 mttt -134.77 139.28 45.02 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.103 -0.499 . . . . 0.0 111.098 177.459 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 10.4 tp -149.0 150.46 13.97 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.101 -0.5 . . . . 0.0 111.157 -178.364 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 38.3 m-85 -79.0 145.06 34.13 Favored 'General case' 0 C--O 1.232 0.161 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.295 173.582 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 86.9 tt0 -55.09 124.92 18.42 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.312 -0.404 . . . . 0.0 111.075 -177.159 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 102.45 -16.36 55.15 Favored Glycine 0 CA--C 1.524 0.599 0 N-CA-C 111.199 -0.76 . . . . 0.0 111.199 173.378 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 98.1 mmm -85.03 153.99 60.35 Favored Pre-proline 0 C--N 1.328 -0.354 0 CA-C-O 120.712 0.292 . . . . 0.0 111.352 -176.184 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 72.3 Cg_endo -75.42 154.2 40.37 Favored 'Trans proline' 0 C--N 1.326 -0.617 0 C-N-CA 121.752 1.635 . . . . 0.0 111.265 179.495 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 59.3 t -133.19 124.96 50.45 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-N 116.324 -0.398 . . . . 0.0 111.206 178.045 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 91.4 m -127.63 123.42 35.57 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.094 -179.069 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 52.0 p90 -157.84 164.98 36.42 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.071 -0.513 . . . . 0.0 111.202 172.581 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 12.5 t -145.89 161.26 40.42 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.237 -171.233 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 11.5 t -139.45 148.89 43.36 Favored 'General case' 0 C--O 1.234 0.264 0 CA-C-N 116.354 -0.384 . . . . 0.0 111.312 179.99 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 78.3 ttt180 -132.96 138.92 47.06 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-O 120.843 0.354 . . . . 0.0 111.219 -174.218 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 30.8 m -124.7 148.81 28.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.092 -0.503 . . . . 0.0 111.177 -179.881 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -99.15 65.02 1.41 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.25 174.797 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -104.61 160.49 15.56 Favored Glycine 0 CA--C 1.522 0.531 0 N-CA-C 111.201 -0.76 . . . . 0.0 111.201 -174.941 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 34' ' ' ASN . . . . . 0.445 ' HA ' ' C ' ' A' ' 35' ' ' PRO . 54.2 t-20 -156.23 107.05 2.06 Favored Pre-proline 0 CA--C 1.511 -0.545 0 CA-C-O 121.131 0.491 . . . . 0.0 110.937 177.719 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 35' ' ' PRO . . . . . 0.445 ' C ' ' HA ' ' A' ' 34' ' ' ASN . 24.5 Cg_exo -74.49 165.55 85.2 Favored 'Cis proline' 0 N--CA 1.457 -0.639 0 C-N-CA 121.539 -2.275 . . . . 0.0 111.28 9.306 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 36' ' ' LYS . . . . . 0.461 ' HD2' ' N ' ' A' ' 36' ' ' LYS . 4.2 mptp? -59.91 115.45 12.99 Favored Pre-proline 0 C--N 1.328 -0.358 0 CA-C-N 116.045 -0.525 . . . . 0.0 111.057 -179.065 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 37' ' ' PRO . . . . . 0.483 ' HA ' ' HB3' ' A' ' 86' ' ' ASN . 52.7 Cg_exo -57.13 145.39 86.66 Favored 'Trans proline' 0 N--CA 1.46 -0.478 0 C-N-CA 121.559 1.506 . . . . 0.0 111.262 -177.945 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 99.7 mttt -80.83 69.7 7.44 Favored 'General case' 0 N--CA 1.455 -0.194 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.536 176.223 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 88.1 mt -42.6 122.18 0.45 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.085 -0.507 . . . . 0.0 111.202 -172.86 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 75.3 m-85 -109.64 150.01 28.87 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.124 174.705 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 41' ' ' TRP . . . . . . . . . . . . . 92.2 m95 -115.86 141.67 47.79 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.089 -0.505 . . . . 0.0 111.12 173.111 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 42' ' ' PHE . . . . . 0.401 ' HB3' ' HA ' ' A' ' 47' ' ' GLN . 40.6 p90 -150.52 146.17 26.43 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.088 -0.505 . . . . 0.0 111.326 171.034 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 12.3 tmtt? -109.98 110.0 20.78 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.193 -172.581 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 89.3 m-20 53.9 33.36 17.08 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.068 -176.565 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 96.58 -0.8 61.51 Favored Glycine 0 CA--C 1.525 0.688 0 N-CA-C 111.154 -0.778 . . . . 0.0 111.154 176.787 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 96.9 mttt -95.07 100.04 11.93 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.834 0.349 . . . . 0.0 111.234 -178.367 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 47' ' ' GLN . . . . . 0.401 ' HA ' ' HB3' ' A' ' 42' ' ' PHE . 66.3 tt0 -51.09 127.31 18.74 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.248 -178.474 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 95.0 mt -96.93 124.95 50.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.278 -178.924 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 49' ' ' SER . . . . . 0.423 ' HA ' ' HD3' ' A' ' 50' ' ' PRO . 30.3 t -84.34 130.23 54.8 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-N 116.393 -0.367 . . . . 0.0 111.221 174.289 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 50' ' ' PRO . . . . . 0.423 ' HD3' ' HA ' ' A' ' 49' ' ' SER . 52.9 Cg_exo -54.82 139.89 78.05 Favored 'Trans proline' 0 N--CA 1.456 -0.693 0 C-N-CA 121.587 1.525 . . . . 0.0 111.209 178.006 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 98.1 mttt 58.65 54.68 5.19 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.112 -0.495 . . . . 0.0 111.192 177.593 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 14.9 t -94.9 -162.08 0.92 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.189 178.831 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 99.6 m-20 -55.62 -45.36 77.54 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.224 -177.439 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 54' ' ' HIS . . . . . . . . . . . . . 99.7 m-70 -136.16 -5.0 2.12 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.069 -0.514 . . . . 0.0 111.176 -179.634 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 55' ' ' TYR . . . . . . . . . . . . . 22.0 m-30 -108.54 96.27 6.23 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 120.991 0.424 . . . . 0.0 111.079 -173.103 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 98.3 m -98.24 124.89 43.08 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.115 179.914 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 95.9 mt -115.3 128.15 72.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.194 179.063 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 68.7 tp60 -122.39 110.03 15.14 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.217 177.003 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 41.6 ttm105 -100.77 100.02 10.63 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.332 -0.395 . . . . 0.0 111.211 -174.511 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 67.3 t0 -71.08 123.68 22.68 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.303 170.061 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 98.2 mt -74.59 -1.14 20.24 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.055 -0.52 . . . . 0.0 111.19 -170.205 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 96.7 m-20 -74.54 -14.16 60.76 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.353 -0.385 . . . . 0.0 110.977 174.0 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 121.1 21.81 3.05 Favored Glycine 0 CA--C 1.522 0.506 0 N-CA-C 111.098 -0.801 . . . . 0.0 111.098 177.284 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 63.9 m -129.24 140.02 51.62 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.767 0.318 . . . . 0.0 111.264 -178.695 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 65' ' ' CYS . . . . . . . . . . . . . 48.6 t -140.02 131.31 26.68 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.18 178.617 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 30.1 t -108.71 141.26 40.96 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.124 -177.971 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 61.1 tp -115.78 123.13 47.47 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.133 175.114 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 79.4 t60 -117.17 122.81 45.08 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.284 179.158 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 96.3 m -99.6 119.84 38.72 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.291 171.455 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 84.2 m -63.5 -46.4 86.26 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.331 -0.395 . . . . 0.0 111.303 -176.006 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -144.8 88.44 1.91 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.046 -176.448 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 47.2 t -76.57 110.05 10.82 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.033 -177.076 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 52.6 p -110.08 179.94 3.96 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.06 -0.518 . . . . 0.0 111.182 179.788 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 97.6 mt -61.93 -26.75 68.37 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.277 -178.536 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 98.7 m-20 -77.02 -17.89 58.52 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 116.091 -0.504 . . . . 0.0 111.094 175.486 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 68.2 m-20 -93.97 -15.58 24.75 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.125 178.287 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 57.2 t0 -54.85 128.46 33.24 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.12 175.353 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 161.5 -164.22 34.96 Favored Glycine 0 CA--C 1.523 0.594 0 N-CA-C 111.24 -0.744 . . . . 0.0 111.24 179.804 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 74.6 m-80 -105.04 107.62 18.69 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-O 120.894 0.378 . . . . 0.0 111.139 -174.238 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 80' ' ' TYR . . . . . . . . . . . . . 51.1 m-85 -84.65 70.37 10.76 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.062 -0.517 . . . . 0.0 111.266 178.383 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 85.8 m -64.49 133.86 53.28 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-N 116.303 -0.408 . . . . 0.0 111.216 -171.596 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 3.9 tt -104.59 142.63 17.56 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.062 178.102 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 83' ' ' MET . . . . . . . . . . . . . 67.8 ttp -132.84 117.17 17.41 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.364 178.919 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -93.1 90.77 7.02 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.317 -0.401 . . . . 0.0 111.17 178.904 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -98.15 126.64 43.7 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.219 -174.383 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 86' ' ' ASN . . . . . 0.629 ' HB2' ' CD ' ' A' ' 87' ' ' PRO . 22.8 p-10 -141.8 179.88 1.12 Allowed Pre-proline 0 C--N 1.328 -0.35 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.205 172.422 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 87' ' ' PRO . . . . . 0.629 ' CD ' ' HB2' ' A' ' 86' ' ' ASN . 78.4 Cg_exo -59.12 -25.94 79.86 Favored 'Trans proline' 0 N--CA 1.457 -0.664 0 C-N-CA 121.743 1.628 . . . . 0.0 111.262 -175.179 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 97.6 mm-40 -92.38 -4.99 52.99 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.255 -170.626 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 141.9 -165.22 26.61 Favored Glycine 0 CA--C 1.524 0.618 0 N-CA-C 111.192 -0.763 . . . . 0.0 111.192 -179.58 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 41.2 ptt180 -150.02 159.93 44.02 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 120.596 0.236 . . . . 0.0 111.181 -179.418 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 14.8 p -151.77 139.83 14.12 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.337 -0.392 . . . . 0.0 111.09 178.185 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 69.3 m -118.45 153.25 34.43 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.154 -171.767 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 93' ' ' CYS . . . . . . . . . . . . . 50.4 t -150.01 136.26 18.86 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.24 175.266 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 89.2 m -69.57 128.95 38.29 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.301 -0.409 . . . . 0.0 111.217 -174.298 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -101.82 55.99 0.71 Allowed Glycine 0 CA--C 1.523 0.533 0 N-CA-C 111.174 -0.77 . . . . 0.0 111.174 176.726 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 79.8 ttt180 -52.86 115.48 1.85 Allowed 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 120.637 0.256 . . . . 0.0 111.219 -176.836 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 60.6 tp -124.39 109.99 13.99 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.264 -0.425 . . . . 0.0 111.104 172.04 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 98' ' ' MET . . . . . . . . . . . . . 98.8 mmm -97.72 141.8 30.29 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.373 -179.796 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 68.0 t -116.97 125.03 73.65 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.431 0 CA-C-N 116.288 -0.414 . . . . 0.0 111.301 -177.031 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 64.1 tt0 -100.06 130.08 46.18 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.162 177.857 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -65.05 143.31 58.01 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.14 178.875 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 102' ' ' VAL . . . . . . . . . . . . . 77.8 t -88.57 111.07 22.0 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.211 -177.002 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 99.4 m-20 -73.29 -16.13 61.39 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.224 -174.891 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 104' ' ' GLN . . . . . . . . . . . . . 99.8 mm-40 -87.81 -4.96 58.84 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.303 179.392 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 105' ' ' ARG . . . . . 0.401 ' HG2' ' H ' ' A' ' 107' ' ' ARG . 48.0 ttp180 -88.65 126.44 35.3 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.979 -0.555 . . . . 0.0 111.184 -179.935 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . -70.83 -17.06 74.91 Favored Glycine 0 CA--C 1.525 0.704 0 N-CA-C 111.307 -0.717 . . . . 0.0 111.307 -179.243 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 107' ' ' ARG . . . . . 0.401 ' H ' ' HG2' ' A' ' 105' ' ' ARG . 99.8 mtt180 -90.65 -4.73 56.57 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.789 0.328 . . . . 0.0 111.175 -179.75 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 41.7 t . . . . . 1 C--O 1.001 -12.018 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.184 179.98 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.523 0.559 0 N-CA-C 111.22 -0.752 . . . . 0.0 111.22 . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 74.95 -114.98 4.52 Favored Glycine 0 CA--C 1.525 0.682 0 N-CA-C 111.231 -0.747 . . . . 0.0 111.231 179.966 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 45.2 t -135.08 -105.02 0.22 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.717 0.294 . . . . 0.0 111.164 179.782 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 60.7 t30 56.95 45.13 21.81 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-O 120.842 0.353 . . . . 0.0 111.102 -178.927 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -159.37 154.99 25.93 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.222 -179.075 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 13.7 t -160.05 178.24 9.9 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.274 -177.138 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -65.55 142.21 98.22 Favored Pre-proline 0 C--N 1.327 -0.4 0 CA-C-N 116.298 -0.41 . . . . 0.0 111.142 179.722 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 60.1 Cg_endo -73.78 154.01 48.58 Favored 'Trans proline' 0 N--CA 1.457 -0.675 0 C-N-CA 121.655 1.57 . . . . 0.0 111.233 -177.437 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 55.6 p90 -155.01 154.53 32.65 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.329 -0.396 . . . . 0.0 111.047 175.69 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 71.9 m-85 -80.44 121.26 25.51 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.078 -174.854 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 87.4 tt0 -77.06 -30.13 55.44 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.152 167.738 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 68.3 ttp -145.0 113.02 6.42 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.258 177.076 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 99.3 mttt -92.12 168.7 11.18 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.375 -172.04 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 97.6 mt -81.18 171.52 14.79 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.299 176.022 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 64.0 pttt -135.23 179.66 6.19 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.353 175.994 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 18.1 t-160 -71.69 107.22 4.41 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.198 175.599 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 80.3 m-85 -95.92 145.11 25.66 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.271 -176.895 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 98.9 mttt -133.96 139.6 46.21 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.149 176.853 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 10.8 tp -148.88 150.0 14.44 Favored 'Isoleucine or valine' 0 C--O 1.233 0.222 0 CA-C-N 116.056 -0.52 . . . . 0.0 111.205 -179.658 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 16.5 m-30 -75.59 144.84 41.58 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.31 -0.405 . . . . 0.0 111.42 172.154 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 85.1 tt0 -54.91 125.77 21.66 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.275 -0.421 . . . . 0.0 111.1 -176.984 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 101.19 -14.45 58.33 Favored Glycine 0 CA--C 1.525 0.687 0 N-CA-C 111.138 -0.785 . . . . 0.0 111.138 171.404 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 88.6 mtp -86.21 155.13 57.66 Favored Pre-proline 0 C--N 1.326 -0.417 0 CA-C-O 120.885 0.374 . . . . 0.0 111.288 -177.056 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 72.7 Cg_endo -75.16 154.99 42.15 Favored 'Trans proline' 0 N--CA 1.458 -0.562 0 C-N-CA 121.638 1.559 . . . . 0.0 111.15 179.457 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 61.9 t -133.31 125.6 51.15 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.147 178.112 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 87.6 m -124.5 122.96 39.05 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.117 -179.11 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 47.1 p90 -155.22 168.14 28.05 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.171 172.119 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 13.4 t -148.38 157.64 43.6 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.175 -173.446 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 12.5 t -139.53 143.89 37.63 Favored 'General case' 0 C--O 1.234 0.269 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.187 -178.868 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 60.3 ttt85 -120.3 129.77 54.16 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.39 -0.368 . . . . 0.0 111.256 -174.793 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 31' ' ' VAL . . . . . 0.424 HG21 ' HB2' ' A' ' 84' ' ' ALA . 71.6 t -118.95 124.74 73.68 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.395 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.311 179.863 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -94.16 64.97 3.33 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.042 -0.526 . . . . 0.0 111.295 178.826 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -95.79 171.49 28.9 Favored Glycine 0 CA--C 1.523 0.543 0 N-CA-C 111.136 -0.785 . . . . 0.0 111.136 -176.462 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 34' ' ' ASN . . . . . 0.482 ' HA ' ' HA ' ' A' ' 35' ' ' PRO . 54.2 t-20 -161.26 106.51 1.23 Allowed Pre-proline 0 CA--C 1.511 -0.555 0 CA-C-O 121.208 0.528 . . . . 0.0 110.927 -178.424 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 35' ' ' PRO . . . . . 0.482 ' HA ' ' HA ' ' A' ' 34' ' ' ASN . 23.7 Cg_exo -74.37 168.21 77.61 Favored 'Cis proline' 0 N--CA 1.458 -0.603 0 C-N-CA 121.575 -2.26 . . . . 0.0 111.096 7.844 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 69.0 mmtt -52.68 114.54 5.85 Favored Pre-proline 0 C--N 1.332 -0.186 0 CA-C-N 116.059 -0.519 . . . . 0.0 111.199 178.489 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 35.1 Cg_exo -63.51 157.51 50.59 Favored 'Trans proline' 0 N--CA 1.46 -0.457 0 C-N-CA 121.495 1.463 . . . . 0.0 111.178 -177.447 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 98.7 mttt -88.72 70.26 8.75 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.332 174.29 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 95.4 mt -42.39 121.9 0.42 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.061 -0.518 . . . . 0.0 111.22 -173.047 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 76.2 m-85 -109.96 151.05 27.61 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.303 -0.408 . . . . 0.0 111.235 174.769 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 41' ' ' TRP . . . . . . . . . . . . . 86.1 m95 -119.74 141.82 49.1 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.255 174.265 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 38.8 p90 -152.31 146.25 25.23 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.087 -0.506 . . . . 0.0 111.298 172.026 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 11.8 tmtt? -109.96 109.99 20.77 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.127 -174.723 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 95.8 m-20 54.54 31.48 14.99 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.195 -176.493 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 103.77 -19.5 44.17 Favored Glycine 0 CA--C 1.524 0.605 0 N-CA-C 111.217 -0.753 . . . . 0.0 111.217 177.343 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 88.1 tttt -79.67 109.97 14.57 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 120.77 0.319 . . . . 0.0 111.234 -176.753 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 65.8 tt0 -58.1 130.1 45.05 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.205 -177.995 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 91.3 mt -99.42 124.9 53.02 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.319 -0.4 . . . . 0.0 111.21 -179.392 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 49' ' ' SER . . . . . 0.418 ' HA ' ' HD3' ' A' ' 50' ' ' PRO . 30.1 t -89.2 134.11 33.74 Favored Pre-proline 0 C--N 1.326 -0.418 0 CA-C-N 116.399 -0.364 . . . . 0.0 111.185 174.175 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 50' ' ' PRO . . . . . 0.418 ' HD3' ' HA ' ' A' ' 49' ' ' SER . 63.7 Cg_exo -54.03 136.18 66.22 Favored 'Trans proline' 0 N--CA 1.456 -0.698 0 C-N-CA 121.646 1.564 . . . . 0.0 111.223 178.341 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 97.7 mttt 59.17 57.97 3.26 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.341 -0.39 . . . . 0.0 111.258 179.067 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 15.0 t -95.02 -160.81 0.81 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.171 178.537 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 99.0 m-20 -54.27 -45.55 72.47 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.182 -177.983 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 54' ' ' HIS . . . . . . . . . . . . . 99.5 m-70 -137.36 -5.19 1.83 Allowed 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.276 179.017 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 55' ' ' TYR . . . . . . . . . . . . . 22.0 m-30 -106.42 95.86 6.06 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 121.196 0.522 . . . . 0.0 111.058 -171.777 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 98.1 m -97.38 119.6 36.21 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.093 -179.781 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 96.9 mt -105.68 127.18 60.81 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.208 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.337 177.724 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 87.1 mt-30 -119.95 100.46 7.24 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.3 -0.409 . . . . 0.0 111.258 175.077 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 55.3 ttp180 -101.47 117.76 35.58 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.191 -173.598 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 65.6 t0 -100.56 132.56 45.89 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.322 -0.399 . . . . 0.0 111.201 176.784 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 95.3 mt -65.0 -16.47 63.47 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.265 -177.518 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 33.6 t70 -56.89 -33.26 66.72 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.323 -0.399 . . . . 0.0 111.143 175.496 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 133.54 -10.81 4.95 Favored Glycine 0 CA--C 1.522 0.523 0 N-CA-C 111.107 -0.797 . . . . 0.0 111.107 177.293 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 99.5 m -99.27 130.56 45.57 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.876 0.37 . . . . 0.0 111.282 178.495 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 65' ' ' CYS . . . . . . . . . . . . . 42.7 t -132.4 129.92 39.97 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.113 177.019 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 63.2 m -105.92 148.54 27.51 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.241 -175.333 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 61.5 tp -125.83 120.86 31.64 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.234 173.497 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 82.4 t60 -113.84 123.7 50.44 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.261 179.064 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 95.8 m -98.86 119.91 38.41 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.099 -0.5 . . . . 0.0 111.07 171.837 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 79.0 m -65.1 -44.99 87.01 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.183 -175.676 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -144.65 88.38 1.91 Allowed 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 116.299 -0.409 . . . . 0.0 111.196 -176.106 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 46.6 t -78.9 106.94 11.28 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.205 -177.512 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 51.1 p -109.16 -179.17 3.77 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.157 -179.96 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 97.4 mt -60.76 -28.44 68.72 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.01 -0.541 . . . . 0.0 111.129 -178.379 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 98.8 m-20 -76.74 -17.61 58.97 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.176 176.348 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 66.9 m-20 -95.08 -15.19 23.61 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.157 178.51 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 57.4 t0 -54.72 127.34 27.81 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.23 174.422 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 162.59 -165.07 36.04 Favored Glycine 0 CA--C 1.524 0.627 0 N-CA-C 111.224 -0.75 . . . . 0.0 111.224 179.996 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 74.2 m-80 -104.62 108.59 20.12 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.748 0.309 . . . . 0.0 111.059 -175.029 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 80' ' ' TYR . . . . . . . . . . . . . 37.8 m-85 -84.54 69.94 10.65 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.199 178.144 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 86.8 m -65.25 134.94 54.73 Favored 'General case' 0 C--O 1.234 0.273 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.249 -172.655 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 1.5 tt -107.06 140.04 26.58 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.409 0 CA-C-O 120.879 0.371 . . . . 0.0 111.097 175.66 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 83' ' ' MET . . . . . . . . . . . . . 60.3 ttm -133.14 114.53 13.98 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.289 -178.088 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 84' ' ' ALA . . . . . 0.424 ' HB2' HG21 ' A' ' 31' ' ' VAL . . . -93.16 89.93 6.65 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.073 -179.548 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -93.11 128.35 38.99 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.31 -0.404 . . . . 0.0 111.216 -177.412 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 86' ' ' ASN . . . . . 0.623 ' HB2' ' CD ' ' A' ' 87' ' ' PRO . 22.8 p30 -140.58 179.17 1.31 Allowed Pre-proline 0 C--N 1.328 -0.344 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.196 173.464 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 87' ' ' PRO . . . . . 0.623 ' CD ' ' HB2' ' A' ' 86' ' ' ASN . 71.5 Cg_exo -58.58 -27.76 83.65 Favored 'Trans proline' 0 N--CA 1.456 -0.714 0 C-N-CA 121.858 1.705 . . . . 0.0 111.249 -173.607 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 98.6 mm-40 -99.78 4.97 45.61 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.087 -0.506 . . . . 0.0 111.201 -169.052 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 136.38 -168.92 23.95 Favored Glycine 0 CA--C 1.523 0.538 0 N-CA-C 111.33 -0.708 . . . . 0.0 111.33 178.03 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 39.7 ptt180 -144.85 159.1 43.43 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.74 0.305 . . . . 0.0 111.073 -177.912 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 14.9 p -150.71 135.1 9.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.086 -0.506 . . . . 0.0 111.069 177.451 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 93.3 p -117.96 157.98 25.75 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.389 -170.909 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 93' ' ' CYS . . . . . . . . . . . . . 53.8 t -150.76 135.04 16.97 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.428 174.108 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 85.5 m -72.12 130.03 39.9 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.316 -0.402 . . . . 0.0 111.249 -174.037 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -102.63 55.65 0.67 Allowed Glycine 0 CA--C 1.524 0.616 0 N-CA-C 111.219 -0.752 . . . . 0.0 111.219 177.803 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 79.3 ttt180 -51.7 115.3 1.58 Allowed 'General case' 0 C--N 1.326 -0.429 0 CA-C-O 120.777 0.323 . . . . 0.0 111.21 -178.015 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 58.9 tp -124.79 109.91 13.67 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.323 172.043 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 98' ' ' MET . . . . . . . . . . . . . 98.7 mmm -97.96 141.48 30.87 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.121 -179.06 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 77.8 t -117.1 125.0 73.68 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.262 -177.341 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 64.0 tt0 -103.05 129.87 49.98 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.172 -179.863 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -82.19 131.04 35.23 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.223 173.954 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 102' ' ' VAL . . . . . . . . . . . . . 58.5 t -131.78 124.9 54.6 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.188 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.251 -176.006 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 98.7 m-20 -64.97 -34.9 79.54 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.197 -174.804 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 104' ' ' GLN . . . . . . . . . . . . . 89.7 mt-30 -73.99 -29.79 62.15 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.299 -0.41 . . . . 0.0 111.38 -179.227 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 24.0 tpp180 -71.62 112.81 8.04 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.009 -0.541 . . . . 0.0 111.195 -178.272 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . -64.85 -22.88 68.81 Favored Glycine 0 CA--C 1.523 0.593 0 N-CA-C 111.406 -0.678 . . . . 0.0 111.406 -178.25 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 26.7 mmm180 -75.06 -23.47 58.08 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.76 0.314 . . . . 0.0 110.995 177.33 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 31.4 t . . . . . 1 C--O 0.998 -12.168 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.254 -176.969 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.522 0.492 0 N-CA-C 111.195 -0.762 . . . . 0.0 111.195 . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 79.86 -160.23 44.67 Favored Glycine 0 CA--C 1.523 0.577 0 N-CA-C 111.302 -0.719 . . . . 0.0 111.302 -179.944 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 26.6 t -145.03 84.99 1.73 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.594 0.235 . . . . 0.0 111.266 179.979 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 62.4 t30 55.23 45.12 26.44 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 116.328 -0.396 . . . . 0.0 111.02 -178.928 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -155.01 154.94 33.28 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.164 -178.561 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 85.0 m -139.73 127.3 21.67 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.277 -177.407 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -65.13 144.98 99.16 Favored Pre-proline 0 C--N 1.326 -0.418 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.096 179.027 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 65.9 Cg_exo -55.77 131.32 45.36 Favored 'Trans proline' 0 N--CA 1.458 -0.562 0 C-N-CA 121.552 1.502 . . . . 0.0 111.229 -179.029 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 92.0 t80 -155.12 124.11 6.2 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.311 -0.404 . . . . 0.0 111.058 172.137 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 44.3 m-85 -69.95 91.52 0.67 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.083 -0.508 . . . . 0.0 111.041 -176.311 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 17.1 pt-20 -62.44 -20.04 64.11 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.141 -0.482 . . . . 0.0 111.184 175.182 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 66.7 ttp -137.61 107.22 6.19 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.147 -0.478 . . . . 0.0 111.162 172.514 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 99.5 mttt -92.6 173.74 7.63 Favored 'General case' 0 C--O 1.233 0.2 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.239 -174.606 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 96.5 mt -81.85 153.19 26.52 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.181 -177.421 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 97.1 mttt -106.09 165.03 11.51 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.207 177.853 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 23.2 t-160 -89.18 110.03 20.82 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.141 175.839 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 97.0 m-85 -98.54 145.44 26.8 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.417 -0.356 . . . . 0.0 111.247 -175.506 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 97.5 mttt -113.34 92.86 4.15 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.234 175.192 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 43.0 mm -110.01 140.06 30.62 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.079 -168.1 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 49.3 m-85 -72.68 146.79 46.28 Favored 'General case' 0 CA--C 1.52 -0.185 0 CA-C-N 116.072 -0.513 . . . . 0.0 111.323 179.073 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 87.8 tt0 -55.04 120.68 7.29 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.276 179.045 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 94.14 -11.69 70.23 Favored Glycine 0 CA--C 1.523 0.575 0 N-CA-C 111.311 -0.715 . . . . 0.0 111.311 177.024 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 26.3 ttt -79.96 136.78 54.03 Favored Pre-proline 0 C--N 1.328 -0.339 0 CA-C-O 120.864 0.364 . . . . 0.0 111.286 -177.635 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 62.5 Cg_endo -71.02 148.83 57.74 Favored 'Trans proline' 0 C--N 1.327 -0.553 0 C-N-CA 121.546 1.497 . . . . 0.0 111.2 177.03 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 7.6 p -148.81 134.89 12.19 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.093 176.881 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 87.0 m -113.09 130.52 56.14 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.155 177.658 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 27.2 p90 -146.95 153.24 39.86 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.137 177.972 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 9.5 t -149.21 157.04 43.03 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.249 -167.496 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 21.3 t -140.41 144.14 36.01 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.289 -0.414 . . . . 0.0 111.258 -178.658 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 78.5 ttt180 -125.82 135.92 52.53 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.431 -0.35 . . . . 0.0 111.174 -176.129 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 7.5 p -122.26 128.97 75.65 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.374 0 CA-C-N 116.068 -0.515 . . . . 0.0 111.16 -176.535 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -86.95 64.98 8.77 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.069 -0.514 . . . . 0.0 111.334 178.214 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -105.46 157.06 16.46 Favored Glycine 0 CA--C 1.521 0.441 0 N-CA-C 111.192 -0.763 . . . . 0.0 111.192 -176.861 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 34' ' ' ASN . . . . . 0.451 ' HA ' ' HA ' ' A' ' 35' ' ' PRO . 54.0 t-20 -154.99 108.93 2.3 Favored Pre-proline 0 CA--C 1.51 -0.59 0 CA-C-O 121.225 0.536 . . . . 0.0 111.002 177.028 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 35' ' ' PRO . . . . . 0.451 ' HA ' ' HA ' ' A' ' 34' ' ' ASN . 24.1 Cg_exo -74.9 169.46 74.41 Favored 'Cis proline' 0 N--CA 1.456 -0.695 0 C-N-CA 121.581 -2.258 . . . . 0.0 111.179 9.152 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 36' ' ' LYS . . . . . 0.447 ' HD2' ' N ' ' A' ' 36' ' ' LYS . 4.0 mptp? -59.06 115.75 13.2 Favored Pre-proline 0 C--N 1.33 -0.24 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.068 -178.843 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 37' ' ' PRO . . . . . 0.46 ' HA ' ' HB3' ' A' ' 86' ' ' ASN . 50.2 Cg_exo -60.07 156.56 38.74 Favored 'Trans proline' 0 N--CA 1.458 -0.613 0 C-N-CA 121.646 1.564 . . . . 0.0 111.149 -176.102 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 99.4 mttt -83.54 82.49 8.28 Favored 'General case' 0 C--N 1.332 -0.159 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.352 176.256 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 94.1 mt -55.96 125.04 10.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.081 -173.552 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 73.1 m-85 -111.9 145.04 40.23 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.257 -0.428 . . . . 0.0 111.176 175.038 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 41' ' ' TRP . . . . . . . . . . . . . 68.5 m95 -119.91 133.88 55.42 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.06 -0.518 . . . . 0.0 111.22 175.918 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 35.1 p90 -151.93 142.54 22.73 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.11 -0.496 . . . . 0.0 111.321 172.275 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 14.0 tmtt? -109.39 110.04 21.07 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.232 -174.856 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 95.0 m-20 55.03 32.55 18.41 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.363 -0.38 . . . . 0.0 111.034 -174.894 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 94.97 0.38 63.84 Favored Glycine 0 CA--C 1.523 0.538 0 N-CA-C 111.201 -0.76 . . . . 0.0 111.201 177.099 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 97.1 mttt -95.05 100.21 12.08 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.941 0.4 . . . . 0.0 111.077 -178.887 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 66.4 tt0 -50.88 129.97 24.31 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.302 -178.113 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 93.4 mt -100.02 123.66 52.99 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-N 116.309 -0.405 . . . . 0.0 111.148 -177.648 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 49' ' ' SER . . . . . 0.422 ' HA ' ' HD3' ' A' ' 50' ' ' PRO . 30.0 t -89.88 134.13 32.58 Favored Pre-proline 0 C--N 1.327 -0.374 0 CA-C-N 116.246 -0.433 . . . . 0.0 111.227 175.236 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 50' ' ' PRO . . . . . 0.422 ' HD3' ' HA ' ' A' ' 49' ' ' SER . 52.1 Cg_exo -54.91 139.05 78.85 Favored 'Trans proline' 0 N--CA 1.458 -0.594 0 C-N-CA 121.703 1.602 . . . . 0.0 111.223 177.919 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 98.3 mttt 57.9 54.62 5.95 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.227 177.435 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 14.9 t -94.91 -162.11 0.92 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.214 178.949 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 99.7 m-20 -55.79 -45.09 78.3 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.259 -177.11 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 54' ' ' HIS . . . . . . . . . . . . . 99.7 m-70 -135.97 -5.06 2.16 Favored 'General case' 0 C--O 1.234 0.286 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.253 -179.503 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 55' ' ' TYR . . . . . . . . . . . . . 21.0 m-30 -108.97 95.58 5.74 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 121.089 0.471 . . . . 0.0 111.158 -173.57 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 97.2 m -99.52 123.2 43.57 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.18 179.633 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 94.7 mt -109.97 123.53 65.94 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.228 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.143 -177.715 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 99.0 mm-40 -106.35 138.21 42.94 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.147 170.473 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 94.2 mtt-85 -120.01 103.27 9.17 Favored 'General case' 0 C--O 1.234 0.251 0 CA-C-N 116.292 -0.413 . . . . 0.0 111.248 -172.631 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 68.0 t0 -84.95 120.3 26.35 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.305 -0.407 . . . . 0.0 111.214 171.653 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 95.9 mt -70.62 -7.29 43.09 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.141 -170.293 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 96.1 m-20 -70.29 -16.08 62.97 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.282 -0.417 . . . . 0.0 111.191 176.203 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 120.73 23.41 2.8 Favored Glycine 0 CA--C 1.523 0.592 0 N-CA-C 111.029 -0.828 . . . . 0.0 111.029 177.844 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 73.7 m -125.05 139.28 53.94 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-O 120.873 0.368 . . . . 0.0 111.236 -179.938 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 65' ' ' CYS . . . . . . . . . . . . . 37.4 t -135.69 134.32 39.02 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.066 -0.515 . . . . 0.0 111.196 177.11 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 37.6 t -117.75 132.01 56.52 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.217 -175.961 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 60.6 tp -111.92 118.43 35.46 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.282 176.092 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 76.7 t60 -102.19 126.84 49.27 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.335 175.762 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 97.7 m -100.28 115.13 29.21 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.106 172.216 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 81.9 m -65.53 -40.3 92.76 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.255 -175.752 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -141.33 88.87 2.18 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.056 -0.52 . . . . 0.0 111.311 -177.444 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 23.3 t -76.89 80.87 3.46 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.141 -176.982 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 62.4 p -85.09 177.79 7.78 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.056 -179.832 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 98.8 mt -61.93 -26.76 68.37 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 115.981 -0.554 . . . . 0.0 111.275 -176.177 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 99.8 m-20 -75.92 -19.54 58.72 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.13 176.165 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 68.9 m-20 -91.89 -7.73 48.42 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.352 178.901 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 54.6 t0 -64.26 127.87 33.34 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.247 171.173 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 156.78 -160.52 30.38 Favored Glycine 0 CA--C 1.524 0.607 0 N-CA-C 111.315 -0.714 . . . . 0.0 111.315 -178.042 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 72.5 m-80 -104.74 106.75 17.37 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.708 0.29 . . . . 0.0 111.204 -171.171 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 80' ' ' TYR . . . . . . . . . . . . . 90.5 m-85 -80.48 69.91 7.06 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.293 -0.412 . . . . 0.0 111.245 174.585 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 86.7 m -68.34 130.09 41.87 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.067 -171.943 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 5.3 tt -112.22 139.79 35.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.062 177.601 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 83' ' ' MET . . . . . . . . . . . . . 66.4 ttp -130.11 122.39 28.17 Favored 'General case' 0 C--O 1.233 0.209 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.262 -179.941 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -106.3 92.83 4.3 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.317 -0.401 . . . . 0.0 111.121 179.758 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -103.14 131.05 50.45 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.251 -174.084 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 86' ' ' ASN . . . . . 0.656 ' HB2' ' CD ' ' A' ' 87' ' ' PRO . 24.9 p-10 -141.86 179.99 1.1 Allowed Pre-proline 0 C--N 1.329 -0.301 0 CA-C-N 116.015 -0.539 . . . . 0.0 111.14 172.867 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 87' ' ' PRO . . . . . 0.656 ' CD ' ' HB2' ' A' ' 86' ' ' ASN . 75.4 Cg_exo -58.58 -25.16 73.47 Favored 'Trans proline' 0 N--CA 1.457 -0.675 0 C-N-CA 121.71 1.606 . . . . 0.0 111.244 -175.068 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 97.3 mm-40 -92.67 -5.02 52.29 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.184 -170.31 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 145.36 -161.85 28.19 Favored Glycine 0 CA--C 1.525 0.681 0 N-CA-C 111.26 -0.736 . . . . 0.0 111.26 -179.216 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 41.4 ptt180 -151.02 160.02 44.19 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 120.682 0.277 . . . . 0.0 111.228 178.759 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 11.9 p -147.09 137.6 17.49 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.421 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.104 176.376 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 29.0 t -124.08 139.98 53.41 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.409 -174.729 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 93' ' ' CYS . . . . . . . . . . . . . 40.4 t -135.71 134.79 39.48 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.269 177.216 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 92.9 m -84.28 117.22 23.42 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.244 -176.116 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -90.66 59.31 3.31 Favored Glycine 0 CA--C 1.523 0.539 0 N-CA-C 111.222 -0.751 . . . . 0.0 111.222 -177.571 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -60.27 110.05 1.14 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.869 0.366 . . . . 0.0 111.233 -179.098 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 1.9 mp -119.97 131.05 55.05 Favored 'General case' 0 C--O 1.236 0.346 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.171 174.435 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 98' ' ' MET . . . . . . . . . . . . . 13.8 tmm? -109.41 140.07 43.59 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.372 -0.377 . . . . 0.0 111.185 -174.792 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 95.8 t -116.58 131.91 67.79 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 CA-C-N 116.158 -0.473 . . . . 0.0 111.215 -178.26 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 65.4 tt0 -108.03 130.05 55.1 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.261 177.641 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -58.74 127.49 32.42 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.142 177.625 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 102' ' ' VAL . . . . . 0.63 HG13 ' O ' ' A' ' 102' ' ' VAL . 7.2 p -100.01 97.13 5.48 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.241 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.298 -178.081 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 99.3 m-20 -76.77 -8.06 56.58 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.203 -178.28 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 104' ' ' GLN . . . . . . . . . . . . . 99.7 mm-40 -85.16 -5.66 59.32 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.299 -0.41 . . . . 0.0 111.346 179.493 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 61.6 ttm-85 -71.28 116.35 11.5 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.875 -0.602 . . . . 0.0 111.274 177.607 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . -71.66 -18.05 76.99 Favored Glycine 0 CA--C 1.524 0.645 0 N-CA-C 111.307 -0.717 . . . . 0.0 111.307 -177.99 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 99.9 mtt180 -90.11 -3.46 57.9 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.805 0.336 . . . . 0.0 111.149 179.978 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 43.4 t . . . . . 1 C--O 0.999 -12.127 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.194 -179.806 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.524 0.614 0 N-CA-C 111.144 -0.782 . . . . 0.0 111.144 . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 65.14 -125.02 29.12 Favored Glycine 0 CA--C 1.523 0.586 0 N-CA-C 111.376 -0.69 . . . . 0.0 111.376 179.863 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 44.2 t -149.96 129.99 13.5 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-O 120.636 0.255 . . . . 0.0 111.307 179.671 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 62.2 t30 55.67 45.85 23.83 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.304 -0.407 . . . . 0.0 111.119 -178.125 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -155.0 154.98 33.36 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.167 -177.983 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 86.8 m -145.33 125.1 13.37 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.317 -178.39 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -64.38 145.3 98.4 Favored Pre-proline 0 C--N 1.326 -0.438 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.263 178.504 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 77.5 Cg_exo -53.92 132.15 48.21 Favored 'Trans proline' 0 N--CA 1.457 -0.643 0 C-N-CA 121.657 1.572 . . . . 0.0 111.126 -179.856 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 84.3 t80 -149.48 126.58 11.3 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.218 177.166 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 70.4 m-85 -70.21 87.01 0.58 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.159 179.775 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 16.6 pt-20 -64.05 -20.1 65.69 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.169 172.816 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 67.0 ttp -136.17 113.42 10.64 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.075 -0.512 . . . . 0.0 111.243 167.426 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 99.6 mttt -94.86 166.11 12.13 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.061 -0.518 . . . . 0.0 111.296 -170.661 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 99.5 mt -81.77 156.97 24.68 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.287 -0.415 . . . . 0.0 111.294 177.399 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 97.6 mttt -114.89 176.86 4.87 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.344 -0.389 . . . . 0.0 111.214 175.281 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 19.6 t-160 -74.94 109.19 8.2 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.092 -0.504 . . . . 0.0 111.12 173.275 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 74.1 m-85 -97.29 143.46 28.04 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.411 -0.359 . . . . 0.0 111.198 -173.168 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 99.1 mttt -135.36 140.09 44.75 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.02 -0.536 . . . . 0.0 111.273 177.622 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 10.6 tp -148.54 149.98 14.59 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.087 -177.426 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 65.2 m-85 -76.44 145.37 39.34 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.263 173.607 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 88.7 tt0 -53.73 123.93 13.72 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.062 -178.678 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 101.31 -15.33 57.72 Favored Glycine 0 CA--C 1.524 0.6 0 N-CA-C 111.333 -0.707 . . . . 0.0 111.333 172.205 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 97.8 mmm -85.03 154.63 60.75 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 120.73 0.3 . . . . 0.0 111.334 -175.832 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 71.8 Cg_endo -76.01 154.99 38.22 Favored 'Trans proline' 0 C--N 1.329 -0.484 0 C-N-CA 121.631 1.554 . . . . 0.0 111.134 179.985 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 57.7 t -133.68 125.29 49.4 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.23 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.119 178.391 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 88.7 m -127.34 122.89 34.97 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.11 -179.135 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 52.2 p90 -156.84 165.0 37.45 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.231 172.608 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 12.4 t -145.77 160.51 41.64 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.19 -171.854 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 9.8 t -136.8 147.59 46.68 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.346 -0.388 . . . . 0.0 111.189 179.523 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 43.1 ttm180 -124.32 134.82 53.07 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.856 0.36 . . . . 0.0 111.187 -174.838 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 82.0 t -125.59 129.01 72.8 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.362 0 CA-C-N 116.303 -0.408 . . . . 0.0 111.306 -173.737 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -92.54 64.99 4.33 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.071 -0.513 . . . . 0.0 111.258 178.69 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -105.87 161.17 14.5 Favored Glycine 0 CA--C 1.521 0.409 0 N-CA-C 111.242 -0.743 . . . . 0.0 111.242 -177.336 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 34' ' ' ASN . . . . . 0.436 ' HA ' ' C ' ' A' ' 35' ' ' PRO . 54.1 t-20 -155.0 109.27 2.3 Favored Pre-proline 0 CA--C 1.511 -0.553 0 CA-C-O 121.201 0.524 . . . . 0.0 110.944 178.046 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 35' ' ' PRO . . . . . 0.436 ' C ' ' HA ' ' A' ' 34' ' ' ASN . 24.6 Cg_exo -74.57 164.54 87.81 Favored 'Cis proline' 0 N--CA 1.457 -0.671 0 C-N-CA 121.653 -2.228 . . . . 0.0 111.264 9.183 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 65.0 mmtt -54.65 117.01 12.26 Favored Pre-proline 0 C--N 1.331 -0.231 0 CA-C-N 116.044 -0.525 . . . . 0.0 111.041 -179.775 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 37' ' ' PRO . . . . . 0.465 ' HA ' ' HB3' ' A' ' 86' ' ' ASN . 50.7 Cg_exo -60.55 153.85 58.31 Favored 'Trans proline' 0 N--CA 1.458 -0.576 0 C-N-CA 121.609 1.539 . . . . 0.0 111.236 -178.329 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 98.8 mttt -87.87 70.0 9.5 Favored 'General case' 0 C--N 1.332 -0.166 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.283 175.778 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 94.2 mt -43.49 120.46 0.41 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.094 -172.813 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 74.4 m-85 -109.17 150.74 27.44 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.194 175.118 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 41' ' ' TRP . . . . . . . . . . . . . 92.4 m95 -115.93 142.52 46.68 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.244 172.967 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 41.2 p90 -150.9 145.81 25.88 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.167 170.086 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 12.3 tmtt? -110.01 110.08 20.88 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.215 -172.704 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 89.8 m-20 53.92 33.26 16.9 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.202 -176.504 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 97.0 -1.73 61.21 Favored Glycine 0 CA--C 1.526 0.763 0 N-CA-C 111.136 -0.786 . . . . 0.0 111.136 176.672 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 96.9 mttt -94.92 100.22 12.12 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 120.858 0.361 . . . . 0.0 111.215 -178.161 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 66.4 tt0 -50.99 128.0 20.28 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.28 -178.527 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 95.3 mt -97.25 124.97 50.42 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.364 0 CA-C-N 116.383 -0.371 . . . . 0.0 111.245 -178.949 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 49' ' ' SER . . . . . 0.416 ' HA ' ' HD3' ' A' ' 50' ' ' PRO . 30.5 t -84.73 130.21 53.87 Favored Pre-proline 0 C--N 1.327 -0.402 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.22 173.934 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 50' ' ' PRO . . . . . 0.416 ' HD3' ' HA ' ' A' ' 49' ' ' SER . 58.7 Cg_exo -54.16 137.72 70.64 Favored 'Trans proline' 0 N--CA 1.456 -0.679 0 C-N-CA 121.622 1.548 . . . . 0.0 111.154 178.244 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 97.8 mttt 59.35 57.01 3.53 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.299 178.647 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 15.3 t -95.01 -161.66 0.88 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.252 178.393 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 99.6 m-20 -55.25 -45.19 76.06 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 121.013 0.435 . . . . 0.0 111.171 -178.167 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 54' ' ' HIS . . . . . . . . . . . . . 99.5 m-70 -136.5 -5.24 2.02 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 115.983 -0.553 . . . . 0.0 111.2 -179.856 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 55' ' ' TYR . . . . . . . . . . . . . 22.1 m-30 -107.36 95.2 5.54 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.34 -0.391 . . . . 0.0 111.158 -172.921 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 98.2 m -97.43 125.01 41.83 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.064 -179.811 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 96.8 mt -114.81 132.45 63.98 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.149 179.119 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 69.9 tp60 -128.56 110.06 11.93 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.233 177.019 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 39.6 ttm105 -101.16 100.09 10.59 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.251 -175.368 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 67.0 t0 -71.63 124.04 23.83 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-O 120.894 0.378 . . . . 0.0 111.189 170.74 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 97.5 mt -73.75 -2.68 24.4 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.271 -171.363 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 97.7 m-20 -74.94 -10.21 59.27 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.123 173.751 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 115.71 27.45 3.03 Favored Glycine 0 CA--C 1.522 0.529 0 N-CA-C 111.086 -0.806 . . . . 0.0 111.086 174.158 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 57.0 m -135.08 135.21 41.07 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-O 120.631 0.253 . . . . 0.0 111.281 179.83 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 65' ' ' CYS . . . . . . . . . . . . . 49.5 t -134.1 127.94 33.15 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.118 179.896 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 29.7 t -106.44 142.79 35.53 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.249 -178.14 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 59.8 tp -117.09 123.85 47.79 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.222 173.983 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 80.5 t60 -117.65 122.05 42.52 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.286 179.512 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 96.1 m -99.12 119.9 38.61 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.133 171.753 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 80.1 m -64.71 -45.26 87.32 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.191 -175.628 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -144.94 88.05 1.87 Allowed 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.254 -176.51 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 47.5 t -77.23 108.92 10.68 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.126 -177.118 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 52.6 p -110.46 -178.19 3.43 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.153 179.908 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 97.0 mt -61.94 -27.85 69.13 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.906 -0.588 . . . . 0.0 111.396 -177.991 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 98.9 m-20 -76.83 -17.49 58.97 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.067 175.994 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 68.0 m-20 -95.02 -16.05 23.01 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.217 178.669 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 58.0 t0 -55.04 128.22 32.64 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.314 174.861 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 161.17 -164.05 34.68 Favored Glycine 0 CA--C 1.521 0.44 0 N-CA-C 111.282 -0.727 . . . . 0.0 111.282 -179.713 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 74.4 m-80 -105.05 107.78 18.94 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.866 0.365 . . . . 0.0 111.242 -174.035 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 80' ' ' TYR . . . . . . . . . . . . . 50.8 m-85 -84.82 71.24 10.89 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.237 178.321 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 86.0 m -65.02 133.54 51.89 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.229 -171.321 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 5.8 tt -104.03 141.73 19.07 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.328 -0.396 . . . . 0.0 110.993 177.599 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 83' ' ' MET . . . . . . . . . . . . . 60.0 ttm -134.28 117.02 15.96 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.015 -0.539 . . . . 0.0 111.291 179.145 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -94.55 91.6 6.67 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.9 0.381 . . . . 0.0 111.207 179.448 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -96.87 127.54 42.95 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.25 -175.113 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 86' ' ' ASN . . . . . 0.623 ' HB2' ' CD ' ' A' ' 87' ' ' PRO . 22.8 p-10 -142.75 179.26 1.23 Allowed Pre-proline 0 C--N 1.328 -0.349 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.063 172.572 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 87' ' ' PRO . . . . . 0.623 ' CD ' ' HB2' ' A' ' 86' ' ' ASN . 76.9 Cg_exo -59.04 -26.03 80.07 Favored 'Trans proline' 0 N--CA 1.457 -0.635 0 C-N-CA 121.739 1.626 . . . . 0.0 111.262 -175.031 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 96.8 mm-40 -92.92 -5.02 51.73 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.058 -0.519 . . . . 0.0 111.309 -170.412 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 142.05 -164.0 26.92 Favored Glycine 0 CA--C 1.522 0.473 0 N-CA-C 111.378 -0.689 . . . . 0.0 111.378 -179.853 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 40.2 ptt180 -149.83 160.0 43.91 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.652 0.263 . . . . 0.0 111.27 -179.308 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 14.0 p -150.33 138.97 14.89 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.423 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.191 176.168 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 89.0 p -120.15 153.97 35.44 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.3 -0.409 . . . . 0.0 111.247 -172.685 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 93' ' ' CYS . . . . . . . . . . . . . 50.5 t -151.44 136.65 17.53 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.34 176.637 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 88.9 m -69.34 128.95 38.39 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.311 -0.404 . . . . 0.0 111.351 -174.971 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -101.74 56.15 0.71 Allowed Glycine 0 CA--C 1.524 0.652 0 N-CA-C 111.256 -0.738 . . . . 0.0 111.256 176.832 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 79.3 ttt180 -53.22 115.15 1.74 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.744 0.306 . . . . 0.0 111.287 -176.407 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 60.8 tp -123.81 110.3 14.71 Favored 'General case' 0 C--O 1.235 0.32 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.105 172.428 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 98' ' ' MET . . . . . . . . . . . . . 98.7 mmm -97.98 141.75 30.56 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.15 -179.376 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 89.3 t -116.48 124.81 73.07 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.416 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.191 -176.749 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 51.1 tp60 -82.59 121.4 26.76 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.214 175.676 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -59.6 133.78 56.41 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.251 -0.432 . . . . 0.0 111.292 178.695 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 102' ' ' VAL . . . . . . . . . . . . . 79.4 t -118.77 111.11 32.32 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.25 178.109 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 99.5 m-20 -71.91 -18.91 61.99 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.119 -174.805 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 104' ' ' GLN . . . . . . . . . . . . . 99.8 mm-40 -88.95 -4.98 58.29 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.432 -179.073 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 24.4 tpp180 -69.93 109.96 4.77 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.947 -0.569 . . . . 0.0 111.394 178.677 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . -73.31 -17.18 78.75 Favored Glycine 0 CA--C 1.525 0.684 0 N-CA-C 111.093 -0.803 . . . . 0.0 111.093 -177.069 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 99.8 mtt180 -93.77 -0.12 56.06 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-O 120.762 0.315 . . . . 0.0 111.143 -179.386 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 39.1 t . . . . . 1 C--O 0.999 -12.102 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.125 -177.323 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.457 -0.088 0 CA-C-O 120.799 0.333 . . . . 0.0 111.075 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 35.9 Cg_endo -65.28 141.53 69.09 Favored 'Trans proline' 0 N--CA 1.457 -0.668 0 C-N-CA 121.627 1.551 . . . . 0.0 111.211 -179.184 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 90.0 t80 -154.98 124.97 6.63 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.342 -0.39 . . . . 0.0 111.184 -179.1 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 90.7 m-85 -74.86 90.23 2.38 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.195 176.643 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 21.9 pt-20 -70.66 -14.67 62.56 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.053 -0.522 . . . . 0.0 111.208 176.248 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 12' ' ' MET . . . . . 0.41 ' HB3' ' HB3' ' A' ' 30' ' ' ARG . 64.5 ttp -139.36 103.63 4.78 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.28 167.423 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 98.7 mttt -88.58 163.58 15.78 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.223 -172.872 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 96.4 mt -78.74 166.85 22.01 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.267 173.355 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 63.9 pttt -133.51 179.82 5.98 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.335 179.209 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 18.6 t-160 -72.58 108.36 5.58 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.29 -0.414 . . . . 0.0 111.025 177.697 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 76.6 m-85 -97.87 147.55 24.33 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.323 -0.399 . . . . 0.0 111.282 -178.416 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 99.1 mttt -133.98 139.7 46.25 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.268 176.875 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 10.0 tp -148.83 151.85 12.74 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.201 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.071 -177.585 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 64.7 m-85 -78.98 145.99 33.63 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.245 172.955 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 88.5 tt0 -53.97 124.98 17.07 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.2 -178.226 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 102.52 -16.53 54.88 Favored Glycine 0 CA--C 1.524 0.63 0 N-CA-C 111.213 -0.755 . . . . 0.0 111.213 172.252 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 97.9 mmm -84.89 153.54 60.5 Favored Pre-proline 0 C--N 1.33 -0.253 0 CA-C-O 120.894 0.378 . . . . 0.0 111.285 -175.641 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 72.4 Cg_endo -75.68 153.59 38.71 Favored 'Trans proline' 0 C--N 1.328 -0.537 0 C-N-CA 121.595 1.53 . . . . 0.0 111.138 179.111 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 47.2 t -135.02 128.0 49.02 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.198 0 CA-C-N 116.054 -0.521 . . . . 0.0 111.07 178.467 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 84.8 m -120.73 125.04 46.63 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.033 178.823 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 37.0 p90 -149.94 158.75 44.48 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.082 -0.508 . . . . 0.0 111.122 176.043 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 11.4 t -151.97 157.79 42.23 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.154 -172.22 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 24.6 t -142.58 141.96 32.08 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.313 -0.403 . . . . 0.0 111.135 -176.488 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 30' ' ' ARG . . . . . 0.41 ' HB3' ' HB3' ' A' ' 12' ' ' MET . 57.6 ttt85 -121.88 136.33 54.92 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.33 -0.396 . . . . 0.0 111.2 -173.446 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 28.3 m -119.05 159.97 19.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.291 179.449 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -119.95 32.84 5.86 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.278 177.316 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -76.43 161.2 51.47 Favored Glycine 0 CA--C 1.522 0.471 0 N-CA-C 111.094 -0.802 . . . . 0.0 111.094 -176.438 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 34' ' ' ASN . . . . . 0.44 ' HA ' ' C ' ' A' ' 35' ' ' PRO . 54.1 t-20 -151.3 110.0 3.0 Favored Pre-proline 0 CA--C 1.51 -0.579 0 CA-C-O 121.14 0.495 . . . . 0.0 111.02 179.46 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 35' ' ' PRO . . . . . 0.44 ' C ' ' HA ' ' A' ' 34' ' ' ASN . 24.6 Cg_exo -74.87 164.8 87.45 Favored 'Cis proline' 0 N--CA 1.456 -0.686 0 C-N-CA 121.729 -2.196 . . . . 0.0 111.154 9.555 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 64.4 mmtt -52.91 119.01 14.94 Favored Pre-proline 0 C--N 1.332 -0.187 0 CA-C-N 116.026 -0.534 . . . . 0.0 111.123 179.516 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 37' ' ' PRO . . . . . 0.578 ' HA ' ' HB3' ' A' ' 86' ' ' ASN . 53.6 Cg_exo -57.24 148.07 72.69 Favored 'Trans proline' 0 N--CA 1.458 -0.576 0 C-N-CA 121.676 1.584 . . . . 0.0 111.158 -178.096 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 99.6 mttt -79.98 69.88 6.44 Favored 'General case' 0 C--N 1.332 -0.179 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.403 175.582 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 41.1 mm -42.63 121.68 0.43 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.054 -0.521 . . . . 0.0 111.128 -170.405 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 79.9 m-85 -109.53 141.6 41.78 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.217 174.645 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 41' ' ' TRP . . . . . . . . . . . . . 91.7 m95 -113.19 138.04 50.56 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 121.072 0.463 . . . . 0.0 111.114 175.235 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 35.5 p90 -153.83 146.18 23.93 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.066 -0.515 . . . . 0.0 111.326 172.072 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 12.5 tmtt? -110.28 110.0 20.65 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.207 -174.861 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 95.8 m-20 54.91 32.96 18.95 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.24 -176.245 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 95.2 0.75 63.15 Favored Glycine 0 CA--C 1.525 0.693 0 N-CA-C 111.102 -0.799 . . . . 0.0 111.102 176.869 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 97.1 mttt -95.02 100.58 12.39 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.756 0.313 . . . . 0.0 111.206 -179.182 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 66.4 tt0 -50.86 128.93 22.28 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.317 -0.402 . . . . 0.0 111.179 -177.983 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 95.8 mt -99.6 125.03 53.29 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.178 -178.393 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 49' ' ' SER . . . . . 0.42 ' HA ' ' HD3' ' A' ' 50' ' ' PRO . 30.7 t -86.85 133.27 39.82 Favored Pre-proline 0 C--N 1.326 -0.456 0 CA-C-N 116.31 -0.404 . . . . 0.0 111.24 174.331 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 50' ' ' PRO . . . . . 0.42 ' HD3' ' HA ' ' A' ' 49' ' ' SER . 55.5 Cg_exo -54.8 137.36 74.72 Favored 'Trans proline' 0 N--CA 1.457 -0.65 0 C-N-CA 121.688 1.592 . . . . 0.0 111.244 178.805 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 98.0 mttt 58.5 57.0 4.02 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.238 178.085 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 14.9 t -95.01 -161.6 0.87 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.097 -0.501 . . . . 0.0 111.186 178.813 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 99.5 m-20 -55.03 -45.41 75.18 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.192 -177.798 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 54' ' ' HIS . . . . . . . . . . . . . 99.5 m-70 -136.87 -5.04 1.94 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.355 -179.972 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 55' ' ' TYR . . . . . . . . . . . . . 22.0 m-30 -107.55 97.5 7.23 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.059 -172.772 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 97.4 m -98.49 121.2 40.14 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.227 179.726 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 98.4 mt -106.67 131.31 56.82 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.239 178.455 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 70.8 tp60 -130.05 109.64 11.01 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.292 -0.413 . . . . 0.0 111.142 173.212 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 80.9 mtm180 -102.61 111.26 23.5 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.272 -177.367 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 65.2 t0 -85.43 131.36 34.4 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.294 -0.412 . . . . 0.0 111.19 174.54 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 95.3 mt -65.38 -16.04 63.2 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.315 -177.146 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 24.4 t70 -62.15 -28.48 69.68 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.088 177.382 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 129.8 -0.42 5.79 Favored Glycine 0 CA--C 1.523 0.565 0 N-CA-C 111.125 -0.79 . . . . 0.0 111.125 175.359 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 98.0 m -106.55 122.25 45.93 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.783 0.325 . . . . 0.0 111.259 178.545 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 65' ' ' CYS . . . . . . . . . . . . . 89.1 m -121.39 138.99 54.02 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.077 177.623 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 49.5 m -120.01 146.75 45.57 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.212 -173.566 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 55.5 tp -128.72 120.04 25.73 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.034 -0.53 . . . . 0.0 111.154 173.859 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 83.3 t60 -110.62 128.76 55.82 Favored 'General case' 0 N--CA 1.455 -0.188 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.351 -177.858 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 97.9 m -100.36 116.65 32.83 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.187 171.719 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 80.4 m -64.03 -44.55 92.18 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.328 -175.467 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -143.11 88.02 2.01 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.101 -0.5 . . . . 0.0 111.14 -176.895 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 48.4 t -75.64 108.72 8.67 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.185 -176.486 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 57.9 p -109.74 -177.7 3.34 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.175 178.999 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 96.3 mt -63.01 -25.96 68.63 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.069 -0.514 . . . . 0.0 111.254 -177.522 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 99.8 m-20 -79.05 -17.41 55.28 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.12 175.609 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 67.8 m-20 -94.85 -13.53 25.43 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.309 178.069 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 56.7 t0 -58.21 126.27 26.79 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.247 172.771 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 161.44 -163.87 34.74 Favored Glycine 0 CA--C 1.523 0.558 0 N-CA-C 111.248 -0.741 . . . . 0.0 111.248 -178.374 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 73.2 m-80 -106.58 110.85 23.16 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.852 0.358 . . . . 0.0 111.072 -175.201 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 80' ' ' TYR . . . . . . . . . . . . . 61.2 m-85 -84.4 69.97 10.59 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.255 177.397 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 88.6 m -65.02 134.39 53.76 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.224 -172.782 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 2.7 tt -109.95 139.11 34.61 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.308 -0.406 . . . . 0.0 111.144 177.595 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 83' ' ' MET . . . . . . . . . . . . . 65.2 ttp -121.47 120.02 33.71 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.22 -176.076 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -90.02 71.64 7.43 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.222 177.673 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -83.39 119.74 25.01 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.246 -0.433 . . . . 0.0 111.194 -176.561 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 86' ' ' ASN . . . . . 0.669 ' HB2' ' CD ' ' A' ' 87' ' ' PRO . 27.5 p-10 -145.04 -179.65 0.99 Allowed Pre-proline 0 C--N 1.328 -0.332 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.084 174.458 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 87' ' ' PRO . . . . . 0.669 ' CD ' ' HB2' ' A' ' 86' ' ' ASN . 54.9 Cg_exo -61.45 -18.46 59.56 Favored 'Trans proline' 0 N--CA 1.456 -0.71 0 C-N-CA 121.728 1.619 . . . . 0.0 111.353 -174.14 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 96.0 mm-40 -100.16 9.95 42.01 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.983 -0.553 . . . . 0.0 111.229 -174.594 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 121.79 -168.37 14.54 Favored Glycine 0 CA--C 1.523 0.586 0 N-CA-C 111.283 -0.727 . . . . 0.0 111.283 178.407 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 40.9 ptt180 -144.92 146.98 32.24 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 120.693 0.282 . . . . 0.0 111.178 -177.799 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 52.3 t -135.23 135.75 51.96 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.388 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.199 176.816 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 73.7 m -103.07 141.12 36.37 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.225 -179.571 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 93' ' ' CYS . . . . . . . . . . . . . 45.9 t -136.02 135.06 39.15 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.295 -0.411 . . . . 0.0 111.362 173.643 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 89.0 m -77.41 125.42 29.31 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.302 -0.408 . . . . 0.0 111.22 -170.887 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -100.54 58.55 0.72 Allowed Glycine 0 CA--C 1.523 0.589 0 N-CA-C 111.158 -0.777 . . . . 0.0 111.158 175.921 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 80.6 ttt180 -58.39 124.58 20.01 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 120.665 0.269 . . . . 0.0 111.364 -173.857 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 58.8 tp -132.16 114.19 14.2 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.077 173.056 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 98' ' ' MET . . . . . . . . . . . . . 98.3 mmm -100.01 140.01 34.85 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.206 179.555 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 85.1 t -115.71 124.04 71.73 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.295 -0.411 . . . . 0.0 111.228 -176.075 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 52.5 tp60 . . . . . 0 C--N 1.329 -0.299 0 CA-C-O 121.062 0.458 . . . . 0.0 111.163 175.305 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.527 0.067 0 CA-C-O 120.676 0.274 . . . . 0.0 111.153 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 75.3 Cg_exo -54.32 129.83 36.65 Favored 'Trans proline' 0 C--N 1.328 -0.536 0 C-N-CA 121.606 1.537 . . . . 0.0 111.137 -179.896 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 92.3 t80 -155.08 126.39 7.27 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.922 0.391 . . . . 0.0 111.181 172.931 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 66.3 m-85 -66.8 87.9 0.14 Allowed 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.224 -179.113 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 17.2 pt-20 -61.28 -24.93 66.76 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.134 -0.484 . . . . 0.0 111.34 176.146 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 12' ' ' MET . . . . . 0.404 ' O ' ' SG ' ' A' ' 29' ' ' CYS . 67.9 ttp -126.22 109.7 12.62 Favored 'General case' 0 C--N 1.332 -0.172 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.147 170.44 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 98.3 mttt -97.9 168.16 10.47 Favored 'General case' 0 C--O 1.233 0.235 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.229 -170.397 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 76.5 mt -88.72 160.17 17.45 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.233 -177.783 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 99.2 mttt -118.42 167.04 11.94 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.249 178.344 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 20.4 t-160 -65.33 111.27 2.95 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.099 174.704 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 71.8 m-85 -97.28 141.63 30.15 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.294 -0.412 . . . . 0.0 111.335 -175.122 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 96.4 mttt -131.01 102.63 6.12 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.315 -0.402 . . . . 0.0 111.18 177.9 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 47.5 mm -120.75 140.37 45.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.067 -172.017 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 66.4 m-85 -71.73 149.21 45.62 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.225 -177.345 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 88.1 tt0 -54.99 122.76 11.6 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.188 -179.837 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 90.6 -5.65 82.35 Favored Glycine 0 CA--C 1.524 0.599 0 N-CA-C 111.194 -0.762 . . . . 0.0 111.194 174.665 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 26.7 ttt -84.54 134.75 41.87 Favored Pre-proline 0 C--N 1.327 -0.388 0 CA-C-O 120.74 0.305 . . . . 0.0 111.248 -177.34 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 74.2 Cg_endo -70.83 149.31 59.84 Favored 'Trans proline' 0 C--N 1.326 -0.626 0 C-N-CA 121.619 1.546 . . . . 0.0 111.237 175.208 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 9.7 p -151.66 135.27 7.96 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.118 179.332 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 91.0 m -119.57 130.11 54.98 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.164 175.317 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 31.2 p90 -150.12 154.56 38.29 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.281 177.585 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 11.6 t -146.97 158.96 44.07 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.309 -0.405 . . . . 0.0 111.233 -165.35 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 29' ' ' CYS . . . . . 0.423 ' HB3' HD13 ' A' ' 82' ' ' ILE . 2.9 t -141.06 148.73 40.65 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.308 178.429 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 44.3 ttm180 -124.42 136.92 54.43 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.334 -0.393 . . . . 0.0 111.169 -171.805 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 91.2 t -116.5 129.55 72.78 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.417 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.175 -176.748 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -86.49 65.36 9.0 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.46 173.967 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -107.16 154.01 16.71 Favored Glycine 0 CA--C 1.521 0.451 0 N-CA-C 111.175 -0.77 . . . . 0.0 111.175 -174.643 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 34' ' ' ASN . . . . . 0.48 ' HA ' ' HA ' ' A' ' 35' ' ' PRO . 54.1 t-20 -158.07 108.15 1.73 Allowed Pre-proline 0 CA--C 1.51 -0.564 0 CA-C-O 121.067 0.461 . . . . 0.0 110.985 176.87 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 35' ' ' PRO . . . . . 0.48 ' HA ' ' HA ' ' A' ' 34' ' ' ASN . 23.1 Cg_exo -74.63 168.07 78.23 Favored 'Cis proline' 0 C--N 1.327 -0.596 0 C-N-CA 121.588 -2.255 . . . . 0.0 111.13 7.77 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 36' ' ' LYS . . . . . 0.467 ' HD2' ' N ' ' A' ' 36' ' ' LYS . 4.1 mptp? -59.96 117.43 23.4 Favored Pre-proline 0 C--N 1.333 -0.135 0 CA-C-N 115.949 -0.569 . . . . 0.0 111.159 -179.774 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 49.6 Cg_endo -73.63 169.11 23.1 Favored 'Trans proline' 0 N--CA 1.459 -0.53 0 C-N-CA 121.577 1.518 . . . . 0.0 111.204 -173.099 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 99.1 mttt -78.37 85.33 4.5 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.411 178.647 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 39' ' ' ILE . . . . . 0.459 HG12 ' HB2' ' A' ' 84' ' ' ALA . 42.5 mt -82.6 128.27 38.88 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.065 -176.52 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 39.1 p90 -148.51 160.54 42.97 Favored 'General case' 0 C--O 1.233 0.215 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.2 -177.556 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 41' ' ' TRP . . . . . . . . . . . . . 86.3 m95 -102.09 148.3 25.56 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 121.003 0.43 . . . . 0.0 111.09 177.429 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 46.4 p90 -149.84 145.99 26.88 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.002 -0.545 . . . . 0.0 111.223 165.058 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 13.4 tmtt? -110.54 110.04 20.61 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.162 -173.755 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 88.4 m-20 52.3 34.1 14.08 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.306 -0.407 . . . . 0.0 111.155 -177.861 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 98.91 -1.0 57.76 Favored Glycine 0 CA--C 1.527 0.819 0 N-CA-C 111.026 -0.83 . . . . 0.0 111.026 175.878 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 96.9 mttt -100.84 97.42 8.04 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.649 0.261 . . . . 0.0 111.097 -177.607 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 65.9 tt0 -52.92 129.88 31.71 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.202 -178.591 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 88.7 mt -95.03 125.02 47.77 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.237 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.169 -176.79 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 30.3 t -78.07 126.5 83.59 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.099 177.373 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 50.1 Cg_exo -55.19 143.54 74.52 Favored 'Trans proline' 0 N--CA 1.457 -0.662 0 C-N-CA 121.589 1.526 . . . . 0.0 111.241 177.265 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 98.1 mttt 56.41 47.57 18.67 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.301 175.419 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 54.1 p -88.66 -169.82 2.69 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.258 176.474 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 99.3 m-20 -60.09 -39.38 85.91 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.189 -175.783 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 54' ' ' HIS . . . . . . . . . . . . . 100.0 m-70 -133.02 -7.38 3.07 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.07 -0.514 . . . . 0.0 111.282 -171.444 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 55' ' ' TYR . . . . . . . . . . . . . 91.2 m-85 -125.18 105.79 9.41 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 121.114 0.483 . . . . 0.0 111.053 -177.713 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 96.2 m -103.61 124.3 48.55 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.047 -0.524 . . . . 0.0 111.191 178.198 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 93.2 mt -110.94 121.97 64.58 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.244 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.198 -178.706 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 71.7 tp60 -105.03 115.94 31.11 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.203 174.757 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 50.1 mtp180 -104.4 89.57 3.27 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.191 -173.99 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 60' ' ' ASP . . . . . 0.415 ' HB3' ' HB ' ' A' ' 64' ' ' THR . 66.2 t0 -65.23 124.49 22.32 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.323 -0.399 . . . . 0.0 111.166 175.614 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 95.6 mt -69.96 -9.52 55.4 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.154 -173.308 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 97.0 m-20 -69.69 -17.95 63.52 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.361 -0.381 . . . . 0.0 111.104 174.765 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 117.17 28.56 2.37 Favored Glycine 0 CA--C 1.523 0.586 0 N-CA-C 111.087 -0.805 . . . . 0.0 111.087 178.639 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 64' ' ' THR . . . . . 0.415 ' HB ' ' HB3' ' A' ' 60' ' ' ASP . 60.7 m -126.44 137.02 53.36 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-O 120.831 0.348 . . . . 0.0 111.235 179.837 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 65' ' ' CYS . . . . . . . . . . . . . 33.7 t -130.92 126.73 36.87 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.101 -179.201 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 34.2 t -116.85 135.63 53.58 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.229 -176.621 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 60.2 tp -113.16 123.08 49.4 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.103 -0.499 . . . . 0.0 111.112 178.164 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 68.8 t60 -108.93 122.51 47.37 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.277 175.115 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 94.3 m -101.68 124.66 47.69 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.039 173.79 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 85.7 m -69.7 -44.2 70.87 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.006 -0.543 . . . . 0.0 111.178 -176.134 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -144.97 88.93 1.92 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.229 -176.755 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 30.1 t -74.34 80.12 1.86 Allowed 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.965 -178.766 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 66.1 p -83.72 172.29 12.38 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.172 179.331 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 34.2 tp -58.8 -34.89 72.0 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.097 -0.501 . . . . 0.0 111.354 -172.915 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 99.3 m-20 -68.26 -17.95 64.42 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.13 -0.487 . . . . 0.0 111.244 179.458 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 72.6 m-20 -91.64 -3.28 56.53 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.203 -179.82 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 55.3 t0 -63.87 131.3 47.34 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.241 178.662 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 162.2 -161.89 33.83 Favored Glycine 0 CA--C 1.523 0.537 0 N-CA-C 111.241 -0.744 . . . . 0.0 111.241 178.785 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 75.6 m-80 -105.11 105.09 14.98 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 120.848 0.356 . . . . 0.0 111.139 -173.687 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 80' ' ' TYR . . . . . . . . . . . . . 33.5 m-85 -84.2 69.18 10.38 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.132 177.435 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 87.0 m -66.07 132.62 48.96 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.125 -176.535 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 82' ' ' ILE . . . . . 0.423 HD13 ' HB3' ' A' ' 29' ' ' CYS . 13.4 tt -109.92 138.15 38.91 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.372 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.208 176.804 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 83' ' ' MET . . . . . . . . . . . . . 54.7 ttm -132.74 139.81 47.77 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.266 -0.424 . . . . 0.0 111.372 -172.152 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 84' ' ' ALA . . . . . 0.459 ' HB2' HG12 ' A' ' 39' ' ' ILE . . . -119.0 145.98 45.39 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.289 -0.414 . . . . 0.0 111.169 170.702 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -146.94 130.0 16.41 Favored 'General case' 0 C--O 1.234 0.249 0 CA-C-N 116.058 -0.519 . . . . 0.0 111.163 -176.808 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 86' ' ' ASN . . . . . 0.632 ' HB2' ' CD ' ' A' ' 87' ' ' PRO . 37.8 p30 -152.3 177.7 1.82 Allowed Pre-proline 0 C--N 1.328 -0.357 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.13 172.841 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 87' ' ' PRO . . . . . 0.632 ' CD ' ' HB2' ' A' ' 86' ' ' ASN . 75.2 Cg_exo -57.23 -24.98 62.27 Favored 'Trans proline' 0 N--CA 1.456 -0.7 0 C-N-CA 121.8 1.666 . . . . 0.0 111.3 -176.559 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 96.1 mm-40 -89.88 -6.14 56.11 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.023 -0.535 . . . . 0.0 111.225 -171.209 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 144.33 -162.83 27.89 Favored Glycine 0 CA--C 1.521 0.468 0 N-CA-C 111.302 -0.719 . . . . 0.0 111.302 177.547 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 41.3 ptt180 -151.05 162.6 40.54 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.497 0.189 . . . . 0.0 111.278 -179.217 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 12.2 p -157.94 147.76 9.43 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.431 0 CA-C-N 116.345 -0.389 . . . . 0.0 111.062 -179.696 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 99.4 p -135.48 152.35 51.26 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.305 -178.833 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 93' ' ' CYS . . . . . . . . . . . . . 52.9 t -150.07 128.45 12.15 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.204 176.532 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 96.7 m -80.37 118.78 22.31 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.306 -171.433 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -90.67 60.27 3.22 Favored Glycine 0 CA--C 1.524 0.637 0 N-CA-C 111.111 -0.795 . . . . 0.0 111.111 -179.412 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 78.9 ttt180 -49.41 115.1 1.2 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.615 0.245 . . . . 0.0 111.268 -177.224 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 53.9 tp -121.86 105.1 10.05 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.123 175.481 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 98' ' ' MET . . . . . . . . . . . . . 98.7 mmm -95.83 144.95 25.75 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.11 -0.496 . . . . 0.0 111.262 177.415 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 94.4 t -113.26 131.14 65.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.314 -174.612 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 98.8 mm-40 . . . . . 0 C--N 1.331 -0.237 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.188 174.636 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.457 -0.08 0 CA-C-O 120.92 0.391 . . . . 0.0 111.063 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 36.2 Cg_endo -64.3 146.05 89.44 Favored 'Trans proline' 0 N--CA 1.458 -0.566 0 C-N-CA 121.686 1.59 . . . . 0.0 111.208 179.596 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 87.0 t80 -162.99 139.97 7.58 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.102 -177.259 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 71.8 m-85 -89.91 98.2 11.63 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.218 175.91 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 14.6 pt-20 -69.42 -20.04 63.79 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.013 -0.54 . . . . 0.0 111.298 175.379 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 67.4 ttp -136.34 113.63 10.71 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.192 169.588 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 98.1 mttt -100.39 166.56 10.89 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.276 -169.504 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 89.2 mt -83.45 170.25 14.67 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.236 177.93 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 64.0 pttt -135.02 -179.65 5.75 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.173 175.931 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 18.0 t-160 -73.74 108.91 6.85 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.086 -0.506 . . . . 0.0 111.273 176.278 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 76.9 m-85 -97.32 145.14 26.4 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.845 0.355 . . . . 0.0 111.168 -176.657 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 99.1 mttt -134.59 138.87 44.93 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.112 -0.495 . . . . 0.0 111.274 176.611 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 9.8 tp -148.47 151.59 13.14 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.218 -177.811 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 66.8 m-85 -78.48 146.03 34.65 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.292 -0.413 . . . . 0.0 111.27 172.867 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 87.7 tt0 -53.72 124.61 15.67 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.169 -178.433 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 102.03 -15.78 56.32 Favored Glycine 0 CA--C 1.525 0.683 0 N-CA-C 111.197 -0.761 . . . . 0.0 111.197 171.791 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 98.0 mmm -84.82 153.82 60.93 Favored Pre-proline 0 C--N 1.33 -0.261 0 CA-C-O 120.856 0.36 . . . . 0.0 111.291 -175.672 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 72.6 Cg_endo -75.36 153.08 39.82 Favored 'Trans proline' 0 N--CA 1.458 -0.604 0 C-N-CA 121.643 1.562 . . . . 0.0 111.19 179.56 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 46.2 t -135.22 127.35 47.26 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.039 179.238 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 92.4 m -121.48 126.46 49.3 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.956 178.895 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 31.1 p90 -153.22 158.51 41.82 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 116.09 -0.504 . . . . 0.0 111.088 174.563 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 9.8 t -149.78 159.66 44.18 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.153 -170.524 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 29.9 t -145.95 148.81 33.17 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.211 -178.576 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 78.8 ttt180 -129.09 138.47 51.86 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.333 -0.394 . . . . 0.0 111.12 -172.86 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 28.1 m -115.27 159.63 15.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.088 -0.506 . . . . 0.0 111.224 -176.016 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -145.0 77.96 1.55 Allowed 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.183 178.809 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -124.77 -171.92 13.43 Favored Glycine 0 CA--C 1.521 0.422 0 N-CA-C 111.34 -0.704 . . . . 0.0 111.34 177.295 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 34' ' ' ASN . . . . . 0.498 ' HA ' ' HA ' ' A' ' 35' ' ' PRO . 54.0 t-20 -156.88 106.24 1.94 Allowed Pre-proline 0 CA--C 1.51 -0.579 0 CA-C-O 121.34 0.59 . . . . 0.0 110.964 179.076 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 35' ' ' PRO . . . . . 0.498 ' HA ' ' HA ' ' A' ' 34' ' ' ASN . 27.5 Cg_exo -68.78 157.17 89.46 Favored 'Cis proline' 0 N--CA 1.457 -0.623 0 C-N-CA 121.587 -2.255 . . . . 0.0 111.136 3.892 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 98.6 mttt -58.61 132.03 85.66 Favored Pre-proline 0 C--N 1.331 -0.233 0 CA-C-N 116.032 -0.531 . . . . 0.0 111.081 -179.434 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 37' ' ' PRO . . . . . 0.618 ' HA ' ' HB3' ' A' ' 86' ' ' ASN . 77.2 Cg_exo -56.17 141.06 88.11 Favored 'Trans proline' 0 N--CA 1.459 -0.539 0 C-N-CA 121.527 1.485 . . . . 0.0 111.204 -175.315 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 99.3 mttt -85.13 87.46 7.38 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.263 172.977 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 81.0 mt -53.69 123.96 5.49 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.224 0 CA-C-N 116.134 -0.484 . . . . 0.0 111.232 -172.563 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 80.5 m-85 -116.94 144.9 44.01 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.288 170.971 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 41' ' ' TRP . . . . . . . . . . . . . 94.8 m95 -114.25 140.0 48.94 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 121.033 0.444 . . . . 0.0 111.113 176.887 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 39.6 p90 -152.68 146.09 24.86 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 115.975 -0.557 . . . . 0.0 111.271 169.59 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 13.0 tmtt? -110.08 110.05 20.81 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.243 -174.752 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 93.8 m-20 53.84 33.54 17.3 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.119 -176.124 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 96.22 -0.7 62.17 Favored Glycine 0 CA--C 1.524 0.656 0 N-CA-C 111.205 -0.758 . . . . 0.0 111.205 176.643 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 96.9 mttt -94.85 100.03 11.98 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.9 0.381 . . . . 0.0 111.208 -178.726 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 66.4 tt0 -50.98 129.13 23.08 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.291 -0.413 . . . . 0.0 111.177 -178.111 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 95.6 mt -99.11 124.01 52.11 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.181 -178.132 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 49' ' ' SER . . . . . 0.413 ' HA ' ' HD3' ' A' ' 50' ' ' PRO . 30.5 t -90.0 136.62 28.79 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-N 116.296 -0.411 . . . . 0.0 111.127 174.82 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 50' ' ' PRO . . . . . 0.413 ' HD3' ' HA ' ' A' ' 49' ' ' SER . 53.6 Cg_exo -54.9 136.82 73.94 Favored 'Trans proline' 0 N--CA 1.457 -0.623 0 C-N-CA 121.551 1.501 . . . . 0.0 111.244 178.59 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 97.8 mttt 59.04 57.66 3.45 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.318 -0.401 . . . . 0.0 111.296 177.741 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 13.4 t -94.99 -161.76 0.89 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.136 -0.483 . . . . 0.0 111.152 178.883 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 99.4 m-20 -54.87 -45.72 74.65 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-O 121.046 0.45 . . . . 0.0 111.274 -177.801 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 54' ' ' HIS . . . . . . . . . . . . . 99.0 m-70 -136.73 -5.26 1.97 Allowed 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.199 178.996 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 55' ' ' TYR . . . . . . . . . . . . . 22.0 m-30 -106.07 95.25 5.65 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.077 -173.254 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 97.9 m -98.3 124.8 43.13 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.267 -179.242 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 96.7 mt -110.15 124.75 67.16 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-O 120.921 0.391 . . . . 0.0 111.137 179.975 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 85.1 mt-30 -111.16 136.27 50.47 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.115 173.256 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 94.1 mtt-85 -118.46 105.74 11.98 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.141 -172.127 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 67.8 t0 -84.41 122.25 28.7 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.286 171.32 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 95.1 mt -66.52 -12.29 56.84 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.112 -171.353 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 95.5 m-20 -64.98 -21.6 66.87 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.939 0.4 . . . . 0.0 111.17 177.493 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 123.16 18.93 3.02 Favored Glycine 0 CA--C 1.523 0.547 0 N-CA-C 111.136 -0.785 . . . . 0.0 111.136 -179.855 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 61.4 m -119.55 139.95 51.32 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-O 120.748 0.309 . . . . 0.0 111.315 -179.714 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 65' ' ' CYS . . . . . . . . . . . . . 36.4 t -135.05 134.14 40.07 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.104 176.706 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 32.3 t -114.97 135.78 53.85 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.261 -176.967 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 64.2 tp -114.9 119.66 37.32 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.093 -0.503 . . . . 0.0 111.097 177.952 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 82.5 t60 -111.74 126.05 54.64 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.272 -178.424 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 97.4 m -98.04 115.09 27.51 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.016 -0.538 . . . . 0.0 111.149 171.114 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 82.7 m -61.94 -44.74 96.13 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.29 -175.337 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -143.42 88.35 2.0 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.221 -177.096 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 48.0 t -75.0 107.2 6.91 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.155 -176.074 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 60.4 p -106.67 -178.96 3.8 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.163 -0.472 . . . . 0.0 111.131 178.968 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 96.5 mt -62.65 -25.45 68.13 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.335 -178.469 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 99.4 m-20 -78.27 -19.76 52.99 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.096 175.131 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 68.5 m-20 -92.63 -13.76 29.1 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.191 178.007 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 57.2 t0 -57.97 126.81 29.06 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.158 171.983 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 160.26 -164.47 34.43 Favored Glycine 0 CA--C 1.524 0.64 0 N-CA-C 111.189 -0.764 . . . . 0.0 111.189 -178.679 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 74.1 m-80 -105.81 109.38 21.32 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.91 0.386 . . . . 0.0 111.163 -173.897 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 80' ' ' TYR . . . . . . . . . . . . . 52.8 m-85 -83.77 70.06 10.3 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.208 177.351 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 85.6 m -65.83 135.08 54.38 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.169 -172.549 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 4.1 tt -109.88 139.97 30.79 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.061 177.729 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 83' ' ' MET . . . . . . . . . . . . . 63.5 ttp -119.76 121.16 38.55 Favored 'General case' 0 C--O 1.234 0.256 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.252 -175.738 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -88.82 65.5 7.67 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.319 -0.4 . . . . 0.0 111.085 177.571 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -76.51 124.59 27.82 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.255 -175.469 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 86' ' ' ASN . . . . . 0.618 ' HB3' ' HA ' ' A' ' 37' ' ' PRO . 30.7 p30 -150.73 177.79 1.74 Allowed Pre-proline 0 C--N 1.329 -0.313 0 CA-C-N 116.088 -0.505 . . . . 0.0 111.118 173.076 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 87' ' ' PRO . . . . . 0.615 ' CD ' ' HB2' ' A' ' 86' ' ' ASN . 75.6 Cg_exo -58.29 -24.96 70.39 Favored 'Trans proline' 0 N--CA 1.458 -0.604 0 C-N-CA 121.76 1.64 . . . . 0.0 111.201 -174.909 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 98.7 mm-40 -93.52 -4.95 50.14 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.068 -0.515 . . . . 0.0 111.259 -170.824 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 142.01 -157.73 26.52 Favored Glycine 0 CA--C 1.524 0.625 0 N-CA-C 111.287 -0.725 . . . . 0.0 111.287 179.711 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 40.3 ptt180 -150.81 149.95 30.36 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.75 0.309 . . . . 0.0 111.115 177.673 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 60.2 t -128.81 134.45 64.36 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.341 -0.39 . . . . 0.0 111.146 175.739 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 29.4 t -106.67 131.27 54.0 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.235 -0.438 . . . . 0.0 111.386 -177.854 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 93' ' ' CYS . . . . . . . . . . . . . 52.6 t -132.93 130.73 39.98 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.304 -0.407 . . . . 0.0 111.301 174.773 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 85.3 m -77.46 129.33 35.6 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.324 -171.761 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -100.52 55.39 0.83 Allowed Glycine 0 CA--C 1.524 0.633 0 N-CA-C 111.182 -0.767 . . . . 0.0 111.182 177.044 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 79.9 ttt180 -53.24 116.55 2.47 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.657 0.265 . . . . 0.0 111.327 -176.781 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 58.3 tp -125.18 112.3 16.28 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.305 -0.407 . . . . 0.0 111.155 171.42 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 98' ' ' MET . . . . . . . . . . . . . 98.7 mmm -97.86 140.72 31.8 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.152 179.621 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 84.0 t -116.93 124.01 72.46 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.082 -176.673 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 52.2 tp60 . . . . . 0 C--N 1.331 -0.221 0 CA-C-N 116.062 -0.517 . . . . 0.0 111.096 175.805 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.455 -0.189 0 CA-C-O 120.642 0.258 . . . . 0.0 111.207 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 34.7 Cg_endo -63.59 144.83 90.8 Favored 'Trans proline' 0 C--N 1.328 -0.551 0 C-N-CA 121.664 1.576 . . . . 0.0 111.166 179.335 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 86.6 t80 -161.42 139.99 9.67 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-O 121.086 0.47 . . . . 0.0 111.121 -176.477 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 83.3 m-85 -91.49 99.83 12.7 Favored 'General case' 0 C--N 1.332 -0.175 0 CA-C-N 116.041 -0.527 . . . . 0.0 111.111 175.971 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 21.7 pt-20 -77.42 -13.83 59.84 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.269 175.979 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 12' ' ' MET . . . . . 0.414 ' HB3' ' HB3' ' A' ' 30' ' ' ARG . 66.1 ttp -141.23 108.45 5.5 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.309 167.285 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 99.6 mttt -93.9 173.85 7.46 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.277 -172.662 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 92.3 mt -89.7 155.5 19.17 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.222 177.584 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 97.7 mttt -115.0 179.14 4.03 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.234 176.314 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 22.8 t-160 -73.93 111.82 9.46 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.183 173.401 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 94.5 m-85 -97.41 144.14 27.45 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.38 -0.373 . . . . 0.0 111.23 -175.713 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 98.4 mttt -125.63 115.42 20.11 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.285 178.691 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 3.8 mp -125.14 138.82 53.05 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.073 -0.512 . . . . 0.0 111.182 -170.639 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 8.8 m-30 -69.65 138.7 53.24 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.081 172.917 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 41.6 tt0 -55.12 119.01 4.84 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.074 -0.512 . . . . 0.0 111.116 179.067 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 95.08 -5.37 68.43 Favored Glycine 0 CA--C 1.523 0.579 0 N-CA-C 111.239 -0.744 . . . . 0.0 111.239 175.662 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 56.9 ttp -89.78 138.38 27.99 Favored Pre-proline 0 C--N 1.328 -0.343 0 CA-C-O 120.678 0.275 . . . . 0.0 111.335 -176.695 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 57.8 Cg_endo -66.48 150.42 84.18 Favored 'Trans proline' 0 C--N 1.327 -0.593 0 C-N-CA 121.588 1.525 . . . . 0.0 111.287 174.466 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 8.4 p -149.6 134.79 10.6 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.089 179.106 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 89.0 m -114.58 130.12 56.74 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.153 177.504 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 25.0 p90 -146.71 154.01 40.93 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.093 -0.503 . . . . 0.0 111.172 177.831 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 11.4 t -149.4 158.9 44.58 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.256 -166.538 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 36.6 t -147.39 148.9 31.79 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.326 -0.397 . . . . 0.0 111.265 -179.468 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 30' ' ' ARG . . . . . 0.414 ' HB3' ' HB3' ' A' ' 12' ' ' MET . 76.3 ttt180 -127.81 137.55 52.42 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 120.886 0.375 . . . . 0.0 111.143 -170.978 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 28.1 m -120.37 162.34 19.05 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.241 -176.136 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -145.01 80.96 1.63 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.339 177.729 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -120.97 -175.91 15.31 Favored Glycine 0 CA--C 1.521 0.457 0 N-CA-C 111.262 -0.735 . . . . 0.0 111.262 176.25 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 34' ' ' ASN . . . . . 0.496 ' HA ' ' HA ' ' A' ' 35' ' ' PRO . 54.1 t-20 -156.48 106.19 2.01 Favored Pre-proline 0 CA--C 1.511 -0.556 0 CA-C-O 121.142 0.496 . . . . 0.0 110.987 177.56 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 35' ' ' PRO . . . . . 0.496 ' HA ' ' HA ' ' A' ' 34' ' ' ASN . 27.7 Cg_exo -68.77 157.52 89.03 Favored 'Cis proline' 0 N--CA 1.458 -0.589 0 C-N-CA 121.5 -2.292 . . . . 0.0 111.255 4.158 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 36' ' ' LYS . . . . . 0.413 ' HA ' ' HD3' ' A' ' 37' ' ' PRO . 98.3 mttt -63.97 135.01 96.12 Favored Pre-proline 0 C--N 1.331 -0.215 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.047 -177.168 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 37' ' ' PRO . . . . . 0.564 ' HA ' ' HB3' ' A' ' 86' ' ' ASN . 74.1 Cg_exo -56.43 143.64 86.37 Favored 'Trans proline' 0 N--CA 1.458 -0.581 0 C-N-CA 121.704 1.603 . . . . 0.0 111.226 -176.145 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 99.2 mttt -86.91 75.02 9.63 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.378 171.73 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 75.8 mt -40.97 124.99 0.46 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.084 -172.179 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 83.4 m-85 -114.08 144.85 42.45 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.238 170.956 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 41' ' ' TRP . . . . . . . . . . . . . 92.1 m95 -114.36 136.87 52.51 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.093 176.631 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 37.0 p90 -154.11 147.09 24.5 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.199 171.493 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 12.7 tmtt? -109.98 110.03 20.82 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.101 -175.812 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 87.4 m-20 52.65 32.93 12.69 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.19 -176.327 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 98.18 -0.91 58.89 Favored Glycine 0 CA--C 1.523 0.586 0 N-CA-C 111.185 -0.766 . . . . 0.0 111.185 176.603 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 97.0 mttt -95.05 99.98 11.89 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.804 0.335 . . . . 0.0 111.062 -178.447 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 66.0 tt0 -54.57 131.33 42.73 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.338 -0.392 . . . . 0.0 111.202 -176.603 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 92.8 mt -110.8 118.19 56.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.352 -0.386 . . . . 0.0 111.177 177.757 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 88.7 p -89.84 154.23 47.71 Favored Pre-proline 0 C--N 1.328 -0.355 0 CA-C-N 116.336 -0.393 . . . . 0.0 111.273 178.063 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 46.4 Cg_exo -59.43 143.04 99.82 Favored 'Trans proline' 0 N--CA 1.459 -0.547 0 C-N-CA 121.622 1.548 . . . . 0.0 111.231 178.676 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 97.9 mttt 55.01 46.57 23.99 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.324 174.975 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 51.9 p -80.02 -170.16 2.34 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.309 -0.405 . . . . 0.0 111.224 177.317 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 98.7 m-20 -66.67 -33.27 75.28 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.13 -176.756 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 54' ' ' HIS . . . . . . . . . . . . . 98.7 m-70 -129.98 -6.85 4.44 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.008 -0.542 . . . . 0.0 111.33 -171.396 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 55' ' ' TYR . . . . . . . . . . . . . 82.3 m-85 -131.75 149.96 52.31 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.099 -176.61 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 84.8 m -134.88 130.73 36.4 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.112 175.272 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 92.2 mt -113.63 125.76 70.97 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.4 0 CA-C-N 116.285 -0.416 . . . . 0.0 111.01 -178.208 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 98.1 mm-40 -110.04 142.06 42.0 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.21 172.728 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 94.8 mtt-85 -121.21 102.42 8.29 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.179 -173.419 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 60' ' ' ASP . . . . . 0.401 ' HB3' ' HB ' ' A' ' 64' ' ' THR . 68.1 t0 -78.76 122.63 26.27 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.191 171.738 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 95.2 mt -67.06 -12.21 59.29 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.189 -171.592 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 95.5 m-20 -65.03 -21.56 66.86 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.291 -0.413 . . . . 0.0 111.061 176.864 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 122.46 20.77 2.87 Favored Glycine 0 CA--C 1.524 0.648 0 N-CA-C 111.066 -0.814 . . . . 0.0 111.066 -179.557 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 64' ' ' THR . . . . . 0.401 ' HB ' ' HB3' ' A' ' 60' ' ' ASP . 59.4 m -120.1 140.03 51.68 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 120.709 0.29 . . . . 0.0 111.247 -179.588 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 65' ' ' CYS . . . . . . . . . . . . . 28.8 t -134.57 134.97 41.92 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.067 177.548 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 41.0 t -118.79 129.63 55.35 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.279 -0.419 . . . . 0.0 111.106 -174.291 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 60.0 tp -107.72 121.6 45.04 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.085 -0.507 . . . . 0.0 111.136 176.609 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 74.6 t60 -110.0 129.99 55.6 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.245 179.654 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 87.0 m -102.7 126.66 49.89 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.171 173.488 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 88.9 m -69.9 -45.0 68.54 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.235 -176.148 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -144.95 90.19 2.03 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.289 -0.414 . . . . 0.0 111.178 -177.833 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 34.8 t -80.03 92.67 5.63 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.14 -176.649 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 67.5 p -90.73 177.54 6.3 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.103 178.472 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 86.6 mt -60.32 -30.24 69.37 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.103 -0.499 . . . . 0.0 111.324 179.278 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 99.0 m-20 -72.31 -17.5 61.85 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.083 -0.508 . . . . 0.0 111.217 176.672 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 68.9 m-20 -96.85 -0.18 48.25 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.288 -0.415 . . . . 0.0 111.197 178.148 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 59.1 t0 -69.01 131.46 45.09 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.356 176.397 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 160.77 -163.13 33.99 Favored Glycine 0 CA--C 1.523 0.561 0 N-CA-C 111.244 -0.742 . . . . 0.0 111.244 -179.565 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 75.3 m-20 -104.03 106.49 17.01 Favored 'General case' 0 C--O 1.234 0.285 0 CA-C-O 120.873 0.368 . . . . 0.0 111.148 -174.549 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 80' ' ' TYR . . . . . . . . . . . . . 44.9 m-85 -81.31 69.96 8.05 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.299 177.23 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 91.1 m -64.98 134.91 54.94 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.251 -171.002 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 82' ' ' ILE . . . . . 0.434 HG23 ' HB3' ' A' ' 93' ' ' CYS . 3.2 tt -109.93 140.02 30.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.118 176.808 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 83' ' ' MET . . . . . . . . . . . . . 64.7 ttp -120.0 119.96 34.92 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.222 -175.048 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -86.46 77.17 9.49 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-O 120.987 0.422 . . . . 0.0 111.182 173.867 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -88.6 121.93 31.5 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.238 -176.276 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 86' ' ' ASN . . . . . 0.599 ' HB2' ' CD ' ' A' ' 87' ' ' PRO . 30.3 p30 -146.89 177.42 1.77 Allowed Pre-proline 0 C--N 1.328 -0.335 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.13 173.116 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 87' ' ' PRO . . . . . 0.599 ' CD ' ' HB2' ' A' ' 86' ' ' ASN . 77.8 Cg_exo -58.21 -24.9 69.47 Favored 'Trans proline' 0 N--CA 1.455 -0.758 0 C-N-CA 121.709 1.606 . . . . 0.0 111.297 -175.586 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 98.0 mm-40 -90.8 -5.08 56.1 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.057 -171.71 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 139.91 -170.97 24.06 Favored Glycine 0 CA--C 1.522 0.517 0 N-CA-C 111.353 -0.699 . . . . 0.0 111.353 175.81 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 98.7 mtt180 -129.99 144.99 51.63 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 120.573 0.225 . . . . 0.0 111.221 -178.867 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 56.3 t -134.26 128.3 52.01 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.224 176.569 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 30.8 t -101.17 139.26 37.1 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.37 -178.678 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 93' ' ' CYS . . . . . 0.434 ' HB3' HG23 ' A' ' 82' ' ' ILE . 52.4 t -135.93 129.12 31.73 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.314 172.991 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 85.1 m -72.02 128.81 36.88 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.153 -172.599 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -102.17 58.69 0.6 Allowed Glycine 0 CA--C 1.525 0.663 0 N-CA-C 111.124 -0.79 . . . . 0.0 111.124 176.262 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 80.1 ttt180 -54.26 110.12 0.57 Allowed 'General case' 0 C--N 1.327 -0.413 0 CA-C-O 120.714 0.292 . . . . 0.0 111.191 -176.538 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 3.1 mp -114.29 106.51 14.42 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.318 170.818 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 98' ' ' MET . . . . . . . . . . . . . 63.9 ttp -96.82 130.88 44.02 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.077 -0.51 . . . . 0.0 111.054 179.131 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 77.6 t -113.21 138.28 43.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.313 -176.107 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 65.7 tt0 . . . . . 0 N--CA 1.454 -0.236 0 CA-C-O 121.033 0.444 . . . . 0.0 111.326 -179.061 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.456 -0.133 0 CA-C-O 120.752 0.31 . . . . 0.0 111.265 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 51.6 Cg_endo -67.21 120.81 7.89 Favored 'Trans proline' 0 N--CA 1.458 -0.602 0 C-N-CA 121.617 1.544 . . . . 0.0 111.206 178.302 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 91.7 t80 -162.13 137.68 7.39 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.102 179.61 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 65.6 m-85 -80.65 114.13 19.33 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.156 -179.862 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 22.9 pt-20 -78.87 -14.72 59.08 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.034 171.255 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 67.5 ttp -137.09 115.99 12.3 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.083 167.879 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 97.1 mttt -102.34 164.9 11.42 Favored 'General case' 0 C--N 1.332 -0.155 0 CA-C-N 116.03 -0.532 . . . . 0.0 111.147 -171.417 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 96.1 mt -80.95 150.14 29.08 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.248 -179.95 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 97.5 mttt -115.06 -179.06 3.52 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.241 179.228 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 22.1 t-160 -75.09 113.18 12.12 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.275 173.905 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 63.1 m-85 -105.83 148.3 27.7 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.411 -0.359 . . . . 0.0 111.33 -175.947 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 99.2 mttt -134.34 139.74 45.87 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.197 177.696 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 10.9 tp -149.85 149.92 14.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.189 -178.813 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 56.0 m-85 -77.93 146.33 35.6 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.277 -0.419 . . . . 0.0 111.292 178.194 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 39.8 tt0 -55.08 120.63 7.25 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.11 -0.496 . . . . 0.0 111.062 -177.0 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 98.79 -14.51 61.67 Favored Glycine 0 CA--C 1.523 0.578 0 N-CA-C 111.113 -0.795 . . . . 0.0 111.113 173.09 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 98.0 mmm -85.22 153.25 59.34 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 120.852 0.358 . . . . 0.0 111.266 -176.825 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 86.4 Cg_endo -75.52 152.74 38.76 Favored 'Trans proline' 0 N--CA 1.459 -0.546 0 C-N-CA 121.764 1.643 . . . . 0.0 111.179 177.883 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 9.1 p -152.42 134.96 6.45 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.134 176.395 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 88.2 m -120.27 135.41 55.01 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.212 -178.949 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 23.7 p90 -151.5 152.27 32.76 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 116.337 -0.392 . . . . 0.0 111.198 174.921 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 9.5 t -146.95 157.49 43.65 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.087 -0.506 . . . . 0.0 111.228 -164.688 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 1.8 t -143.28 153.11 42.44 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.242 -179.203 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 54.2 ttt85 -133.28 130.63 39.2 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.318 -0.401 . . . . 0.0 111.138 -169.526 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 85.2 t -108.46 134.88 49.01 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.101 -0.5 . . . . 0.0 111.234 -176.144 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -93.79 64.98 3.54 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.215 173.916 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -107.6 163.02 13.1 Favored Glycine 0 CA--C 1.521 0.452 0 N-CA-C 111.369 -0.692 . . . . 0.0 111.369 -178.781 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 34' ' ' ASN . . . . . 0.45 ' HA ' ' HA ' ' A' ' 35' ' ' PRO . 60.1 t-20 -168.25 101.71 0.55 Allowed Pre-proline 0 CA--C 1.51 -0.566 0 CA-C-O 121.093 0.473 . . . . 0.0 110.979 177.17 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 35' ' ' PRO . . . . . 0.45 ' HA ' ' HA ' ' A' ' 34' ' ' ASN . 58.6 Cg_endo -71.94 169.84 68.91 Favored 'Cis proline' 0 N--CA 1.457 -0.649 0 C-N-CA 121.36 -2.35 . . . . 0.0 111.403 1.404 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 36' ' ' LYS . . . . . 0.459 ' HA ' ' HD3' ' A' ' 37' ' ' PRO . 72.3 mmtt -67.93 135.1 91.93 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.156 -179.848 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 37' ' ' PRO . . . . . 0.459 ' HD3' ' HA ' ' A' ' 36' ' ' LYS . 31.9 Cg_exo -64.47 177.9 1.92 Allowed 'Trans proline' 0 N--CA 1.459 -0.516 0 C-N-CA 121.544 1.496 . . . . 0.0 111.238 177.947 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 98.8 mttt -84.72 80.01 9.41 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.459 174.724 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 60.1 mt -77.77 132.92 31.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.038 -171.924 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 37.9 p90 -149.43 164.88 33.75 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.306 178.946 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 41' ' ' TRP . . . . . . . . . . . . . 74.8 m95 -109.11 151.59 26.21 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 121.083 0.468 . . . . 0.0 111.123 178.973 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 38.9 p90 -152.88 145.75 24.44 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.059 -0.519 . . . . 0.0 111.235 166.323 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 13.3 tmtt? -110.04 109.93 20.67 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.049 -0.523 . . . . 0.0 111.265 -175.642 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 89.8 m-20 53.0 33.37 14.62 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.11 -176.294 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 98.98 -3.32 58.51 Favored Glycine 0 CA--C 1.524 0.64 0 N-CA-C 111.152 -0.779 . . . . 0.0 111.152 176.296 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 97.0 mttt -95.35 99.9 11.76 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-O 120.697 0.284 . . . . 0.0 111.131 -177.591 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 66.0 tt0 -51.94 130.04 28.45 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.381 -0.372 . . . . 0.0 111.214 -177.683 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 97.9 mt -98.36 124.95 51.76 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.148 -176.911 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 49' ' ' SER . . . . . 0.426 ' HA ' ' HD3' ' A' ' 50' ' ' PRO . 30.5 t -85.49 132.1 45.8 Favored Pre-proline 0 C--N 1.328 -0.342 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.239 174.127 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 50' ' ' PRO . . . . . 0.426 ' HD3' ' HA ' ' A' ' 49' ' ' SER . 57.0 Cg_exo -54.5 137.41 72.69 Favored 'Trans proline' 0 N--CA 1.458 -0.592 0 C-N-CA 121.731 1.62 . . . . 0.0 111.164 178.366 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 97.6 mttt 59.69 58.09 2.98 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.302 178.108 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 13.1 t -94.96 -160.86 0.81 Allowed 'General case' 0 C--O 1.234 0.265 0 CA-C-N 116.06 -0.518 . . . . 0.0 111.166 178.63 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 99.6 m-20 -55.08 -45.33 75.39 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.346 -0.388 . . . . 0.0 111.175 -178.055 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 54' ' ' HIS . . . . . . . . . . . . . 99.5 m-70 -136.32 -6.5 2.03 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.09 -0.505 . . . . 0.0 111.351 178.645 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 55' ' ' TYR . . . . . . . . . . . . . 21.9 m-30 -103.03 92.62 4.62 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.269 -173.397 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 97.3 m -97.71 120.3 37.85 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.123 -0.489 . . . . 0.0 111.155 -179.297 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 96.8 mt -105.79 123.44 60.28 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.137 -179.067 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 64.8 tt0 -104.97 119.1 38.18 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.146 173.857 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 62.7 ttm-85 -102.81 90.26 3.74 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.185 -175.167 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 67.0 t0 -71.29 119.93 16.13 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 120.928 0.395 . . . . 0.0 111.181 172.904 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 95.6 mt -68.82 -10.83 59.01 Favored 'General case' 0 C--O 1.236 0.347 0 CA-C-N 116.051 -0.522 . . . . 0.0 111.233 -171.456 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 17.9 t70 -67.73 -19.84 65.18 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.382 -0.372 . . . . 0.0 111.188 176.039 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 123.67 17.21 3.2 Favored Glycine 0 CA--C 1.524 0.613 0 N-CA-C 111.023 -0.831 . . . . 0.0 111.023 176.398 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 95.6 m -114.93 126.12 54.42 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-O 120.802 0.335 . . . . 0.0 111.253 -179.087 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 65' ' ' CYS . . . . . . . . . . . . . 76.7 m -115.77 124.92 51.98 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.125 176.228 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 34.7 t -115.38 132.66 56.55 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.079 -0.51 . . . . 0.0 111.169 -177.047 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 68.4 tp -112.43 119.87 39.71 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.081 -0.508 . . . . 0.0 111.139 177.056 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 63.5 t60 -108.25 125.11 51.29 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.364 -0.38 . . . . 0.0 111.294 176.788 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 92.2 m -101.08 115.59 30.84 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.054 172.513 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 83.6 m -64.99 -43.45 92.54 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.257 -175.201 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -142.12 87.61 2.04 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.051 -0.522 . . . . 0.0 111.045 -176.874 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 46.6 t -80.08 105.78 11.61 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.186 -177.686 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 47.7 p -105.9 -179.86 4.06 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.221 -179.903 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 96.4 mt -60.81 -28.24 68.64 Favored 'General case' 0 C--N 1.333 -0.143 0 CA-C-N 116.101 -0.5 . . . . 0.0 111.273 -178.559 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 98.7 m-20 -76.76 -17.9 58.78 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.052 176.063 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 67.4 m-20 -94.82 -16.16 23.17 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.27 178.192 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 57.7 t0 -54.88 128.8 34.85 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.305 -0.407 . . . . 0.0 111.204 174.412 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 160.77 -163.26 34.05 Favored Glycine 0 CA--C 1.523 0.55 0 N-CA-C 111.212 -0.755 . . . . 0.0 111.212 -179.462 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 74.6 m-80 -105.56 108.05 19.35 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.921 0.391 . . . . 0.0 111.209 -174.481 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 80' ' ' TYR . . . . . . . . . . . . . 54.7 m-85 -84.94 69.99 10.85 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.35 177.809 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 87.0 m -68.89 134.61 49.85 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.019 -172.842 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 12.7 tt -109.98 136.92 44.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.196 176.373 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 83' ' ' MET . . . . . . . . . . . . . 59.2 ttm -127.71 128.34 45.25 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.289 -0.414 . . . . 0.0 111.327 -178.143 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -98.69 65.05 1.53 Allowed 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.319 -0.4 . . . . 0.0 111.12 173.858 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -75.22 143.14 43.28 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.269 -174.431 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 86' ' ' ASN . . . . . 0.587 ' HB2' ' CD ' ' A' ' 87' ' ' PRO . 37.5 p30 -155.5 174.72 3.66 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-N 116.293 -0.412 . . . . 0.0 111.101 171.45 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 87' ' ' PRO . . . . . 0.587 ' CD ' ' HB2' ' A' ' 86' ' ' ASN . 68.8 Cg_exo -59.79 -24.63 76.54 Favored 'Trans proline' 0 N--CA 1.456 -0.685 0 C-N-CA 121.7 1.6 . . . . 0.0 111.328 -174.682 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 88.3 mm-40 -97.07 -1.72 44.74 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.285 -171.087 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 144.47 -175.45 24.21 Favored Glycine 0 CA--C 1.524 0.624 0 N-CA-C 111.252 -0.739 . . . . 0.0 111.252 -178.201 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 41.0 ptt180 -148.51 159.97 43.54 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.593 0.235 . . . . 0.0 111.201 -177.014 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 9.3 p -147.35 139.93 19.02 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.525 0 CA-C-N 116.288 -0.415 . . . . 0.0 111.295 173.78 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 36.8 t -130.08 137.46 50.21 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.334 -0.394 . . . . 0.0 111.323 -169.205 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 93' ' ' CYS . . . . . . . . . . . . . 96.5 m -130.05 139.2 51.02 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.277 -0.42 . . . . 0.0 111.341 171.827 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 94.6 m -87.45 118.51 26.95 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.229 -171.566 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -88.85 59.88 3.92 Favored Glycine 0 CA--C 1.523 0.571 0 N-CA-C 111.249 -0.74 . . . . 0.0 111.249 179.99 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 79.2 ttt180 -53.43 113.94 1.33 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.71 0.29 . . . . 0.0 111.304 -179.887 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 65.5 tp -123.4 109.22 13.6 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.242 174.615 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 98' ' ' MET . . . . . . . . . . . . . 99.2 mmm -95.67 140.82 29.94 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.158 178.137 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 85.9 t -115.63 128.99 72.68 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.221 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.166 -176.348 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 99.4 mm-40 . . . . . 0 C--N 1.331 -0.222 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.218 178.177 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.457 -0.107 0 CA-C-O 120.814 0.34 . . . . 0.0 111.147 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 54.6 Cg_endo -71.43 148.07 53.69 Favored 'Trans proline' 0 N--CA 1.457 -0.623 0 C-N-CA 121.784 1.656 . . . . 0.0 111.119 -177.172 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 55.1 p90 -153.32 155.01 35.69 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.305 -0.407 . . . . 0.0 111.262 174.085 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 90.3 m-85 -83.56 94.18 8.01 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.282 -0.417 . . . . 0.0 111.046 -172.458 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 87.8 tt0 -57.02 -37.11 71.24 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.3 169.885 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 62.7 ttp -130.78 122.75 27.74 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.052 -0.522 . . . . 0.0 111.219 173.241 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 99.0 mttt -102.11 164.95 11.42 Favored 'General case' 0 C--O 1.233 0.208 0 CA-C-N 116.097 -0.501 . . . . 0.0 111.243 -173.363 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 95.9 mt -84.11 154.97 22.85 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.315 -0.402 . . . . 0.0 111.174 178.649 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 98.0 mttt -114.98 169.96 8.7 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.299 176.205 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 19.2 t-160 -67.02 111.08 3.64 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.154 174.139 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 60.9 m-85 -100.88 146.31 27.5 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.38 -0.373 . . . . 0.0 111.298 -175.081 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 99.0 mttt -135.74 139.66 43.76 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.275 176.727 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 9.7 tp -147.96 152.09 12.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.022 -178.336 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 67.2 m-85 -79.93 145.33 32.68 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.069 -0.514 . . . . 0.0 111.306 172.66 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 88.5 tt0 -53.43 124.6 15.28 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.001 -178.604 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 104.1 -17.05 49.14 Favored Glycine 0 CA--C 1.524 0.598 0 N-CA-C 111.076 -0.81 . . . . 0.0 111.076 171.78 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 98.1 mmm -84.97 153.7 60.35 Favored Pre-proline 0 C--N 1.328 -0.342 0 CA-C-O 120.874 0.369 . . . . 0.0 111.179 -175.359 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 71.7 Cg_endo -75.06 153.53 41.56 Favored 'Trans proline' 0 C--N 1.328 -0.517 0 C-N-CA 121.617 1.545 . . . . 0.0 111.241 178.408 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 46.5 t -135.03 127.05 47.63 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.198 179.518 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 85.8 m -122.26 125.32 45.78 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.028 -0.533 . . . . 0.0 111.107 179.767 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 37.8 p90 -153.72 160.16 42.22 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.05 174.2 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 9.3 t -149.62 155.58 40.49 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.177 -172.371 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 11.2 t -141.09 148.2 39.77 Favored 'General case' 0 C--O 1.235 0.318 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.197 -178.619 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 60.6 ttt85 -121.87 121.77 37.91 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.478 -0.328 . . . . 0.0 111.188 -172.875 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 97.2 t -110.66 119.34 59.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.316 176.624 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -92.8 64.94 4.12 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.226 -177.776 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -92.74 175.25 36.88 Favored Glycine 0 CA--C 1.521 0.418 0 N-CA-C 111.3 -0.72 . . . . 0.0 111.3 176.058 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 34' ' ' ASN . . . . . 0.48 ' HA ' ' HA ' ' A' ' 35' ' ' PRO . 54.2 t-20 -158.88 106.19 1.59 Allowed Pre-proline 0 CA--C 1.511 -0.546 0 CA-C-O 121.329 0.585 . . . . 0.0 110.924 176.706 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 35' ' ' PRO . . . . . 0.48 ' HA ' ' HA ' ' A' ' 34' ' ' ASN . 60.1 Cg_endo -73.01 157.77 98.82 Favored 'Cis proline' 0 N--CA 1.458 -0.574 0 C-N-CA 121.371 -2.345 . . . . 0.0 111.246 2.046 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 3.8 mptp? -60.08 112.77 5.91 Favored Pre-proline 0 C--N 1.331 -0.208 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.117 176.966 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 39.8 Cg_exo -59.8 154.6 48.62 Favored 'Trans proline' 0 N--CA 1.458 -0.604 0 C-N-CA 121.625 1.55 . . . . 0.0 111.198 178.966 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 88.6 tttt -70.33 79.17 0.54 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.261 175.014 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 87.4 mt -41.94 123.79 0.49 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.225 -176.412 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 85.5 m-85 -106.26 148.25 28.19 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.296 -0.411 . . . . 0.0 111.224 178.582 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 41' ' ' TRP . . . . . . . . . . . . . 90.4 m95 -119.98 141.87 49.29 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.184 173.03 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 40.2 p90 -152.58 146.12 24.95 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.075 -0.511 . . . . 0.0 111.406 172.084 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 12.3 tmtt? -110.04 110.06 20.84 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.271 -175.028 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 94.6 m-20 53.81 33.62 17.37 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.075 -176.17 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 95.83 -0.07 62.53 Favored Glycine 0 CA--C 1.525 0.676 0 N-CA-C 111.034 -0.827 . . . . 0.0 111.034 176.533 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 97.0 mttt -94.92 100.66 12.48 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.811 0.339 . . . . 0.0 111.155 -178.942 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 66.4 tt0 -51.11 129.47 24.18 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 116.393 -0.367 . . . . 0.0 111.202 -177.491 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 95.0 mt -99.97 124.99 53.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.305 -0.407 . . . . 0.0 111.266 -179.317 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 49' ' ' SER . . . . . 0.422 ' HA ' ' HD3' ' A' ' 50' ' ' PRO . 30.6 t -87.92 133.97 36.29 Favored Pre-proline 0 C--N 1.327 -0.407 0 CA-C-N 116.328 -0.396 . . . . 0.0 111.262 174.864 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 50' ' ' PRO . . . . . 0.422 ' HD3' ' HA ' ' A' ' 49' ' ' SER . 53.6 Cg_exo -54.83 137.77 75.73 Favored 'Trans proline' 0 N--CA 1.456 -0.678 0 C-N-CA 121.71 1.607 . . . . 0.0 111.264 178.109 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 98.0 mttt 58.21 56.98 4.2 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.252 178.232 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 14.8 t -94.95 -161.6 0.87 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.291 178.681 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 99.6 m-20 -55.0 -45.67 75.08 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.348 -177.899 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 54' ' ' HIS . . . . . . . . . . . . . 99.5 m-70 -136.41 -5.21 2.05 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.879 -0.6 . . . . 0.0 111.304 179.368 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 55' ' ' TYR . . . . . . . . . . . . . 22.2 m-30 -107.19 96.63 6.55 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.081 -172.286 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 97.7 m -99.02 124.49 44.04 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.162 -179.582 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 98.5 mt -110.54 124.39 67.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.277 -0.419 . . . . 0.0 111.259 179.586 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 97.0 mm-40 -115.04 105.12 12.59 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.289 -0.414 . . . . 0.0 111.147 174.247 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 39.3 ttm105 -102.0 100.03 10.26 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.287 -0.415 . . . . 0.0 111.153 -173.765 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 65.6 t0 -78.1 131.32 37.22 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.229 -0.442 . . . . 0.0 111.125 173.52 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 95.2 mt -67.53 -14.19 62.72 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.232 -174.347 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 19.0 t70 -63.93 -27.32 69.06 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.286 -0.415 . . . . 0.0 111.2 177.482 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 132.71 -10.8 5.2 Favored Glycine 0 CA--C 1.523 0.557 0 N-CA-C 111.164 -0.774 . . . . 0.0 111.164 175.982 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 96.9 m -94.58 128.37 41.15 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 120.829 0.347 . . . . 0.0 111.293 178.379 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 65' ' ' CYS . . . . . . . . . . . . . 46.9 t -131.41 129.14 40.88 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.152 176.488 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 29.0 t -105.36 143.18 33.88 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.215 -176.451 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 61.1 tp -120.74 117.78 28.35 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.256 173.642 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 83.0 t60 -110.45 127.66 55.23 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.353 -178.619 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 95.2 m -100.37 117.14 33.95 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.022 171.885 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 81.7 m -63.72 -44.03 94.78 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.21 -176.061 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -144.08 88.22 1.95 Allowed 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.288 -0.415 . . . . 0.0 111.057 -176.871 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 47.0 t -78.12 106.37 9.96 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.097 -177.493 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 46.5 p -102.72 176.59 5.11 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 120.973 0.416 . . . . 0.0 111.021 179.304 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 37.5 tp -56.12 -35.69 67.38 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 116.037 -0.529 . . . . 0.0 111.278 -178.625 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 99.2 m-20 -72.38 -17.25 61.84 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.053 -0.521 . . . . 0.0 111.233 179.764 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 68.8 m-20 -89.93 -5.79 56.39 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.285 178.121 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 54.9 t0 -62.94 127.02 29.32 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.249 176.42 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 162.22 -164.03 35.27 Favored Glycine 0 CA--C 1.523 0.58 0 N-CA-C 111.157 -0.777 . . . . 0.0 111.157 -179.529 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 73.3 m-80 -105.82 109.57 21.58 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.869 0.366 . . . . 0.0 111.143 -173.803 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 80' ' ' TYR . . . . . . . . . . . . . 48.9 m-85 -84.56 70.07 10.68 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.292 178.016 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 88.7 m -65.94 134.19 52.46 Favored 'General case' 0 C--O 1.234 0.275 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.207 -171.504 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 2.8 tt -103.49 142.11 17.93 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.295 -0.411 . . . . 0.0 111.115 173.564 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 83' ' ' MET . . . . . . . . . . . . . 65.9 ttp -142.67 124.64 15.23 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.256 -177.64 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -93.37 64.95 3.76 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.199 178.095 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -73.09 134.66 44.61 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.21 -175.532 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 86' ' ' ASN . . . . . 0.557 ' HB2' ' HD2' ' A' ' 87' ' ' PRO . 5.4 p30 -154.95 173.55 4.72 Favored Pre-proline 0 C--N 1.327 -0.407 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.228 176.001 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 87' ' ' PRO . . . . . 0.557 ' HD2' ' HB2' ' A' ' 86' ' ' ASN . 71.3 Cg_exo -57.79 -30.71 90.19 Favored 'Trans proline' 0 N--CA 1.457 -0.633 0 C-N-CA 121.85 1.7 . . . . 0.0 111.136 -174.396 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 95.3 mm-40 -95.27 2.22 54.76 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.128 -170.209 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 142.03 -174.71 23.07 Favored Glycine 0 CA--C 1.521 0.41 0 N-CA-C 111.405 -0.678 . . . . 0.0 111.405 177.103 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 41.4 ptt180 -149.23 156.04 41.52 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 120.565 0.222 . . . . 0.0 111.16 -178.414 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 9.5 p -151.8 139.55 13.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.215 174.121 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 94.7 p -129.3 158.69 38.38 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.315 -0.402 . . . . 0.0 111.364 -167.51 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 93' ' ' CYS . . . . . . . . . . . . . 52.1 t -149.99 135.06 17.91 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.186 176.588 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 88.8 m -70.71 130.06 40.76 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.211 -172.523 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -103.16 55.5 0.65 Allowed Glycine 0 CA--C 1.523 0.547 0 N-CA-C 111.279 -0.729 . . . . 0.0 111.279 177.087 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 80.0 ttt180 -52.8 115.56 1.88 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.797 0.332 . . . . 0.0 111.285 -176.414 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 57.5 tp -124.62 110.28 14.22 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.161 171.401 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 98' ' ' MET . . . . . . . . . . . . . 98.8 mmm -96.27 141.33 29.74 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.151 179.329 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 57.3 t -118.61 125.04 74.07 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.262 -176.756 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 55.1 tp60 . . . . . 0 C--N 1.329 -0.302 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.227 173.798 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.116 0 CA-C-O 120.867 0.365 . . . . 0.0 111.166 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 35.9 Cg_endo -64.48 145.63 88.02 Favored 'Trans proline' 0 N--CA 1.457 -0.624 0 C-N-CA 121.785 1.656 . . . . 0.0 111.15 179.873 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 86.8 t80 -161.42 139.95 9.65 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 121.004 0.43 . . . . 0.0 111.067 -176.895 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 90.3 m-85 -90.53 99.75 12.72 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.078 -0.51 . . . . 0.0 111.088 176.953 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 21.6 pt-20 -78.43 -14.94 59.15 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.049 -0.523 . . . . 0.0 111.199 175.989 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 63.0 ttp -140.32 107.37 5.45 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.15 168.141 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 99.4 mttt -93.0 167.97 11.45 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.033 -0.531 . . . . 0.0 111.247 -172.356 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 85.7 mt -81.86 157.59 24.34 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.344 177.184 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 97.3 mttt -114.97 179.76 3.86 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.295 -0.411 . . . . 0.0 111.313 177.144 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 22.9 t-160 -82.55 110.14 17.38 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.264 -0.425 . . . . 0.0 111.133 172.997 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 17' ' ' TYR . . . . . 0.415 ' HB2' ' HG ' ' A' ' 97' ' ' LEU . 92.1 m-85 -98.18 143.58 28.54 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.388 -0.369 . . . . 0.0 111.297 -173.221 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 88.3 tttt -115.48 120.09 38.36 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.298 175.271 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 4.1 mp -126.25 139.29 52.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.101 -173.575 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 12.6 m-30 -73.74 140.97 46.32 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.28 173.641 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 88.0 tt0 -56.62 117.48 3.93 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.246 179.514 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 96.45 -8.12 66.43 Favored Glycine 0 CA--C 1.524 0.618 0 N-CA-C 111.321 -0.711 . . . . 0.0 111.321 177.375 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 28.6 ttt -88.81 132.19 39.18 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 120.764 0.316 . . . . 0.0 111.375 -178.21 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 50.0 Cg_endo -66.15 151.02 84.68 Favored 'Trans proline' 0 C--N 1.326 -0.617 0 C-N-CA 121.73 1.62 . . . . 0.0 111.071 177.215 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 8.1 p -145.87 135.02 17.25 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.215 0 CA-C-N 116.092 -0.503 . . . . 0.0 111.085 -179.511 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 92.0 m -114.82 129.86 56.77 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.171 176.838 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 28.2 p90 -145.36 153.45 41.24 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.193 177.861 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 12.4 t -149.6 159.41 44.35 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.274 -167.711 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 48.2 t -147.59 147.11 29.71 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.132 -179.046 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 58.0 ttt85 -123.41 135.32 54.06 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.122 -172.446 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 31.7 m -116.41 163.98 13.14 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.219 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.117 -179.476 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -144.05 76.82 1.52 Allowed 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.307 177.762 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -117.74 -176.7 17.26 Favored Glycine 0 CA--C 1.521 0.437 0 N-CA-C 111.234 -0.747 . . . . 0.0 111.234 176.986 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 34' ' ' ASN . . . . . 0.469 ' HA ' ' HA ' ' A' ' 35' ' ' PRO . 54.2 t-20 -155.46 106.06 2.2 Favored Pre-proline 0 CA--C 1.51 -0.572 0 CA-C-O 121.256 0.55 . . . . 0.0 110.979 178.786 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 35' ' ' PRO . . . . . 0.469 ' HA ' ' HA ' ' A' ' 34' ' ' ASN . 30.0 Cg_exo -71.71 157.68 96.6 Favored 'Cis proline' 0 N--CA 1.456 -0.73 0 C-N-CA 121.564 -2.265 . . . . 0.0 111.318 7.541 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 36' ' ' LYS . . . . . 0.424 ' HA ' ' HD3' ' A' ' 37' ' ' PRO . 99.0 mttt -58.56 127.8 82.37 Favored Pre-proline 0 C--N 1.332 -0.19 0 CA-C-N 116.11 -0.496 . . . . 0.0 111.145 -178.536 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 37' ' ' PRO . . . . . 0.551 ' HA ' ' HB3' ' A' ' 86' ' ' ASN . 74.0 Cg_exo -56.68 144.98 84.44 Favored 'Trans proline' 0 N--CA 1.458 -0.574 0 C-N-CA 121.636 1.557 . . . . 0.0 111.242 -177.184 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 98.8 mttt -89.04 75.53 7.94 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.37 174.559 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 79.0 mt -42.25 121.09 0.37 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 116.049 -0.523 . . . . 0.0 111.147 -170.693 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 75.5 m-85 -110.87 150.52 29.06 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.248 173.125 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 41' ' ' TRP . . . . . . . . . . . . . 91.1 m95 -117.7 140.33 49.82 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.288 -0.415 . . . . 0.0 111.164 178.448 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 44.1 p90 -153.37 146.53 24.67 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.318 168.557 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 13.5 tmtt? -110.0 109.85 20.58 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.081 -0.509 . . . . 0.0 111.198 -172.979 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 89.3 m-20 53.27 34.39 17.62 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.292 -0.413 . . . . 0.0 111.08 -176.789 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 96.52 -0.37 61.39 Favored Glycine 0 CA--C 1.525 0.671 0 N-CA-C 111.086 -0.805 . . . . 0.0 111.086 176.321 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 96.7 mttt -95.3 100.06 11.9 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.87 0.366 . . . . 0.0 111.099 -178.492 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 66.4 tt0 -51.46 128.77 23.68 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.13 -178.146 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 96.9 mt -100.35 124.59 53.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.133 -178.974 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 49' ' ' SER . . . . . 0.425 ' HA ' ' HD3' ' A' ' 50' ' ' PRO . 30.2 t -88.0 134.69 34.62 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-N 116.309 -0.405 . . . . 0.0 111.292 174.893 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 50' ' ' PRO . . . . . 0.425 ' HD3' ' HA ' ' A' ' 49' ' ' SER . 53.8 Cg_exo -54.59 138.14 74.58 Favored 'Trans proline' 0 N--CA 1.457 -0.648 0 C-N-CA 121.643 1.562 . . . . 0.0 111.336 178.446 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 98.0 mttt 58.46 56.91 4.09 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.295 177.857 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 14.5 t -94.93 -162.08 0.92 Allowed 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.275 178.847 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 99.5 m-20 -55.48 -45.96 76.93 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.342 -177.879 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 54' ' ' HIS . . . . . . . . . . . . . 99.7 m-70 -136.21 -4.93 2.11 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.038 -0.528 . . . . 0.0 111.334 179.86 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 55' ' ' TYR . . . . . . . . . . . . . 22.0 m-30 -108.57 96.88 6.64 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 121.168 0.509 . . . . 0.0 111.124 -173.445 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 97.1 m -100.07 120.58 40.07 Favored 'General case' 0 C--O 1.233 0.195 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.231 -179.181 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 98.1 mt -105.75 124.98 61.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.232 179.352 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 71.7 tp60 -116.94 107.83 15.05 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.185 172.884 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 42.3 ttm105 -101.28 100.05 10.51 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.162 -175.984 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 66.9 t0 -77.53 128.51 34.3 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.149 173.901 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 95.0 mt -66.97 -13.66 62.08 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.23 -174.615 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 24.3 t70 -60.79 -29.53 69.51 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.185 176.874 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 132.98 -0.45 4.45 Favored Glycine 0 CA--C 1.525 0.695 0 N-CA-C 110.967 -0.853 . . . . 0.0 110.967 176.456 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 97.6 m -107.34 134.81 49.85 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-O 120.83 0.348 . . . . 0.0 111.241 178.092 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 65' ' ' CYS . . . . . . . . . . . . . 35.5 t -133.77 135.05 43.65 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.989 175.387 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 29.3 t -115.79 139.06 50.54 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.181 -175.296 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 53.9 tp -115.9 115.7 26.68 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.063 173.754 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 75.4 t60 -100.89 130.03 46.83 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.245 178.34 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 100.0 m -103.48 115.91 31.41 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.106 171.659 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 84.1 m -69.29 -39.93 78.04 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.241 -175.236 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -137.05 81.21 1.86 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.102 -177.425 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 47.3 t -76.4 107.56 8.75 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.123 -0.489 . . . . 0.0 111.21 179.874 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 54.6 p -116.26 -176.84 3.04 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.213 -179.946 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 95.9 mt -64.2 -24.77 67.79 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.448 -177.967 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 98.7 m-20 -78.18 -17.82 56.3 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.067 174.741 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 63.6 m-20 -95.17 -16.12 22.8 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.292 178.362 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 54.9 t0 -54.85 128.59 33.8 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.039 -0.528 . . . . 0.0 111.303 173.009 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 157.43 -163.4 32.49 Favored Glycine 0 CA--C 1.524 0.616 0 N-CA-C 111.214 -0.755 . . . . 0.0 111.214 -177.095 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 75.0 m-20 -105.27 106.75 17.38 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.816 0.341 . . . . 0.0 111.126 -174.011 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 80' ' ' TYR . . . . . . . . . . . . . 67.4 m-85 -79.68 69.11 5.92 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.283 175.58 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 91.0 m -63.53 132.76 52.31 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.266 -0.425 . . . . 0.0 111.203 -170.62 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 82' ' ' ILE . . . . . 0.439 HG23 ' HB3' ' A' ' 93' ' ' CYS . 3.5 tt -110.09 139.32 33.9 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-N 116.296 -0.411 . . . . 0.0 111.16 -178.923 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 83' ' ' MET . . . . . . . . . . . . . 63.6 tpp -119.96 120.06 35.27 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.19 -175.112 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -86.92 70.21 10.31 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.335 -0.393 . . . . 0.0 111.161 175.1 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -82.79 122.25 27.96 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.235 -0.438 . . . . 0.0 111.33 -175.429 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 86' ' ' ASN . . . . . 0.624 ' HB2' ' CD ' ' A' ' 87' ' ' PRO . 27.1 p-10 -145.09 178.73 1.34 Allowed Pre-proline 0 C--N 1.327 -0.371 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.156 172.845 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 87' ' ' PRO . . . . . 0.624 ' CD ' ' HB2' ' A' ' 86' ' ' ASN . 77.8 Cg_exo -58.99 -25.14 76.5 Favored 'Trans proline' 0 N--CA 1.456 -0.707 0 C-N-CA 121.795 1.664 . . . . 0.0 111.241 -175.014 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 97.0 mm-40 -93.05 -3.09 54.9 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.187 -171.168 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 139.76 -165.76 25.79 Favored Glycine 0 CA--C 1.523 0.587 0 N-CA-C 111.311 -0.716 . . . . 0.0 111.311 -179.458 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 40.8 ptt180 -148.2 148.76 30.89 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.809 0.337 . . . . 0.0 111.107 179.523 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 61.2 t -132.26 133.52 60.2 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.23 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.155 178.319 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 31.4 t -99.71 137.65 37.88 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.287 -179.582 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 93' ' ' CYS . . . . . 0.439 ' HB3' HG23 ' A' ' 82' ' ' ILE . 47.8 t -136.05 133.59 37.56 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.282 172.919 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 86.0 m -71.43 128.89 37.33 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.19 -173.246 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -100.97 59.92 0.64 Allowed Glycine 0 CA--C 1.524 0.622 0 N-CA-C 111.113 -0.795 . . . . 0.0 111.113 175.367 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 80.9 ttt180 -61.3 111.27 1.68 Allowed 'General case' 0 C--N 1.327 -0.389 0 CA-C-O 120.713 0.292 . . . . 0.0 111.313 -172.041 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 97' ' ' LEU . . . . . 0.415 ' HG ' ' HB2' ' A' ' 17' ' ' TYR . 3.4 mp -116.65 119.89 36.91 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.161 173.349 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 98' ' ' MET . . . . . . . . . . . . . 65.9 ttp -107.96 130.23 55.06 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.299 -179.432 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 96.7 t -111.28 125.0 68.57 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.366 0 CA-C-O 121.027 0.442 . . . . 0.0 111.298 -177.299 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 95.2 mm-40 . . . . . 0 C--N 1.331 -0.227 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.324 -179.918 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.522 -0.107 0 CA-C-O 120.79 0.329 . . . . 0.0 111.21 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 77.8 Cg_exo -53.83 130.0 36.95 Favored 'Trans proline' 0 N--CA 1.458 -0.611 0 C-N-CA 121.738 1.625 . . . . 0.0 111.2 179.918 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 91.6 t80 -155.74 123.8 5.76 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.995 0.426 . . . . 0.0 111.049 174.71 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 53.7 m-85 -70.77 105.95 3.39 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.073 -0.512 . . . . 0.0 111.166 -178.084 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 15.5 pt-20 -71.51 -19.98 62.11 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.121 170.261 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 67.5 ttp -140.71 114.63 9.03 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.191 172.971 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 98.5 mttt -98.38 171.42 8.19 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.083 -0.508 . . . . 0.0 111.209 -175.384 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 96.0 mt -77.52 147.33 35.86 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.185 -179.354 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 97.3 mttt -105.03 165.05 11.34 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.291 -178.706 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 23.5 t-160 -89.85 109.97 20.93 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.165 176.694 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 96.3 m-85 -100.29 144.93 28.72 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.381 -0.372 . . . . 0.0 111.292 -175.734 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 97.3 mttt -111.64 90.63 3.39 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.207 176.06 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 19' ' ' ILE . . . . . 0.407 ' O ' ' HA ' ' A' ' 99' ' ' VAL . 42.8 mm -109.95 140.04 30.61 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.261 -169.433 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 49.8 m-85 -77.6 141.26 39.6 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.315 -0.402 . . . . 0.0 111.254 178.838 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 21.1 pt-20 -51.84 125.5 15.34 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.103 -0.498 . . . . 0.0 111.194 -179.325 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 97.7 -21.01 48.36 Favored Glycine 0 CA--C 1.526 0.78 0 N-CA-C 111.156 -0.778 . . . . 0.0 111.156 177.469 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 60.0 ttm -76.97 135.86 66.84 Favored Pre-proline 0 C--N 1.328 -0.346 0 CA-C-O 120.86 0.362 . . . . 0.0 111.306 -177.67 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 73.9 Cg_endo -71.53 150.38 57.35 Favored 'Trans proline' 0 N--CA 1.459 -0.554 0 C-N-CA 121.601 1.534 . . . . 0.0 111.15 175.823 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 7.8 p -152.56 132.72 3.91 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.239 0 CA-C-N 115.992 -0.549 . . . . 0.0 111.187 177.214 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 92.5 m -109.26 130.82 55.48 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.14 176.423 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 22.3 p90 -147.96 149.61 32.49 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.067 -0.515 . . . . 0.0 111.142 179.492 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 8.9 t -151.39 160.87 43.54 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.133 -163.369 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 27.1 p -139.57 172.66 12.48 Favored 'General case' 0 C--O 1.234 0.259 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.156 175.601 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 57.5 ttt85 -147.61 133.06 18.62 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 116.405 -0.361 . . . . 0.0 111.143 -177.877 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 10.6 p -115.9 128.27 73.23 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.423 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.188 -178.224 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -101.11 69.1 1.28 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.162 -177.696 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -110.46 -178.11 20.74 Favored Glycine 0 CA--C 1.522 0.518 0 N-CA-C 111.221 -0.752 . . . . 0.0 111.221 179.1 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 34' ' ' ASN . . . . . 0.417 ' HA ' ' HA ' ' A' ' 35' ' ' PRO . 54.1 t-20 -158.16 108.39 1.72 Allowed Pre-proline 0 CA--C 1.511 -0.545 0 CA-C-O 121.212 0.53 . . . . 0.0 110.94 178.086 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 35' ' ' PRO . . . . . 0.417 ' HA ' ' HA ' ' A' ' 34' ' ' ASN . 24.6 Cg_exo -73.21 164.87 85.86 Favored 'Cis proline' 0 N--CA 1.457 -0.623 0 C-N-CA 121.694 -2.211 . . . . 0.0 111.174 7.637 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 36' ' ' LYS . . . . . 0.437 ' HD2' ' N ' ' A' ' 36' ' ' LYS . 4.3 mptp? -59.92 111.9 4.59 Favored Pre-proline 0 C--N 1.33 -0.265 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.112 -176.373 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 37' ' ' PRO . . . . . 0.429 ' HB2' ' HB1' ' A' ' 84' ' ' ALA . 51.6 Cg_exo -59.72 146.32 95.79 Favored 'Trans proline' 0 N--CA 1.46 -0.49 0 C-N-CA 121.66 1.573 . . . . 0.0 111.088 -178.766 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 98.9 mttt -87.96 127.72 35.37 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.036 -0.529 . . . . 0.0 111.344 174.345 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 87.4 mt -97.15 116.21 38.84 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.039 -174.198 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 92.7 m-85 -103.32 144.83 30.85 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.269 -178.644 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 41' ' ' TRP . . . . . . . . . . . . . 87.7 m95 -105.75 134.62 48.57 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.236 -177.39 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 36.4 p90 -150.2 141.72 23.46 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.272 166.34 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 14.4 tmtt? -109.57 110.04 21.0 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.188 -173.669 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 93.0 m-20 54.98 33.27 19.82 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.301 -0.409 . . . . 0.0 111.176 -174.772 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 94.89 -0.85 64.93 Favored Glycine 0 CA--C 1.524 0.647 0 N-CA-C 111.218 -0.753 . . . . 0.0 111.218 176.991 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 96.9 mttt -94.6 99.9 11.96 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.827 0.346 . . . . 0.0 111.194 -178.611 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 66.3 tt0 -51.6 128.66 23.83 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.119 -177.95 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 97.3 mt -98.4 124.86 51.76 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.273 -178.756 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 49' ' ' SER . . . . . 0.42 ' HA ' ' HD3' ' A' ' 50' ' ' PRO . 30.3 t -86.41 132.88 41.64 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-N 116.336 -0.393 . . . . 0.0 111.197 175.68 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 50' ' ' PRO . . . . . 0.42 ' HD3' ' HA ' ' A' ' 49' ' ' SER . 52.1 Cg_exo -55.02 140.41 79.99 Favored 'Trans proline' 0 N--CA 1.457 -0.661 0 C-N-CA 121.538 1.492 . . . . 0.0 111.25 177.986 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 98.3 mttt 58.14 54.16 6.08 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.258 177.463 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 15.6 t -95.1 -161.71 0.88 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.143 178.995 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 99.5 m-20 -55.32 -44.91 76.28 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.292 -177.123 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 54' ' ' HIS . . . . . . . . . . . . . 99.3 m-70 -135.81 -4.96 2.2 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.349 -178.564 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 55' ' ' TYR . . . . . . . . . . . . . 18.2 m-30 -110.01 95.63 5.72 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.122 -172.913 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 96.3 m -97.56 115.05 27.11 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.092 -0.504 . . . . 0.0 111.165 178.141 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 98.0 mt -102.49 133.58 45.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.115 -178.681 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 70.8 tp60 -130.02 110.2 11.45 Favored 'General case' 0 C--O 1.234 0.289 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.091 174.053 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 43.1 ttm105 -102.32 99.98 10.11 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.208 -175.651 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 66.5 t0 -71.75 128.08 34.64 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.2 173.159 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 95.0 mt -66.55 -15.26 63.27 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.268 -174.974 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 22.8 t70 -64.52 -26.27 68.35 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.301 -0.408 . . . . 0.0 111.059 178.273 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 132.36 0.23 4.59 Favored Glycine 0 CA--C 1.524 0.601 0 N-CA-C 111.135 -0.786 . . . . 0.0 111.135 176.279 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 84.0 m -100.1 135.23 41.84 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.794 0.331 . . . . 0.0 111.231 177.975 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 65' ' ' CYS . . . . . . . . . . . . . 49.6 t -134.88 123.75 23.95 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.189 178.524 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 50.7 m -110.9 147.87 33.68 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.133 -174.065 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 59.6 tp -126.15 120.25 29.63 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.038 -0.528 . . . . 0.0 111.259 168.715 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 71.5 t60 -97.81 124.76 42.33 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.216 172.896 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 96.9 m -100.38 114.9 28.8 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.133 172.391 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 82.6 m -67.16 -40.08 86.59 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.155 -175.853 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -142.91 89.64 2.14 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.134 -177.173 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 22.9 t -78.05 80.07 4.49 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.137 -177.429 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 58.0 p -83.35 176.37 9.16 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.145 -178.975 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 93.9 mt -59.76 -31.27 69.5 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.16 -175.856 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 99.7 m-20 -72.9 -15.67 61.58 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.134 178.967 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 70.0 m-20 -92.21 -4.84 53.56 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.125 -0.488 . . . . 0.0 111.152 179.157 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 53.9 t0 -68.4 128.28 36.02 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.161 174.091 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 156.36 -164.03 32.28 Favored Glycine 0 CA--C 1.522 0.509 0 N-CA-C 111.185 -0.766 . . . . 0.0 111.185 -178.491 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 73.6 m-80 -97.63 110.2 22.81 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.989 0.423 . . . . 0.0 111.113 -173.826 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 80' ' ' TYR . . . . . . . . . . . . . 75.0 m-85 -81.73 60.36 4.62 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.149 172.615 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 76.0 m -65.03 135.73 55.94 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.209 -176.15 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 42.4 pt -121.31 159.77 23.14 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.152 -176.865 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 83' ' ' MET . . . . . . . . . . . . . 60.0 tpp -133.01 117.39 17.56 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.286 -0.415 . . . . 0.0 111.331 178.259 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 84' ' ' ALA . . . . . 0.429 ' HB1' ' HB2' ' A' ' 37' ' ' PRO . . . -95.09 106.76 18.79 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.38 -0.373 . . . . 0.0 110.972 174.808 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -114.11 133.94 55.22 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.312 -0.404 . . . . 0.0 111.258 -172.774 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 86' ' ' ASN . . . . . 0.642 ' HB2' ' CD ' ' A' ' 87' ' ' PRO . 23.7 p-10 -140.76 -179.87 1.09 Allowed Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.026 0.441 . . . . 0.0 111.055 170.637 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 87' ' ' PRO . . . . . 0.642 ' CD ' ' HB2' ' A' ' 86' ' ' ASN . 78.5 Cg_exo -59.31 -25.39 78.17 Favored 'Trans proline' 0 N--CA 1.458 -0.594 0 C-N-CA 121.691 1.594 . . . . 0.0 111.23 -175.1 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 98.1 mm-40 -94.12 -4.97 48.28 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.236 -169.802 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 144.9 -162.31 28.08 Favored Glycine 0 CA--C 1.522 0.502 0 N-CA-C 111.24 -0.744 . . . . 0.0 111.24 -178.098 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 41.7 ptt180 -150.35 158.63 44.37 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.587 0.232 . . . . 0.0 111.153 179.574 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 13.5 p -142.95 137.76 27.07 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.376 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.15 174.623 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 89.9 p -99.27 165.87 11.48 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.257 -177.271 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 93' ' ' CYS . . . . . . . . . . . . . 46.7 t -158.63 130.03 6.45 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.37 172.335 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 91.9 m -81.21 125.45 30.31 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.356 -175.824 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -103.74 56.9 0.57 Allowed Glycine 0 CA--C 1.523 0.578 0 N-CA-C 111.139 -0.784 . . . . 0.0 111.139 -179.073 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -60.08 110.05 1.11 Allowed 'General case' 0 C--N 1.327 -0.385 0 CA-C-O 120.711 0.291 . . . . 0.0 111.158 -178.257 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 2.5 mp -119.86 140.14 51.3 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.357 -0.383 . . . . 0.0 111.202 174.468 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 98' ' ' MET . . . . . . . . . . . . . 65.5 ttp -120.91 139.39 53.29 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.165 -173.175 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 99' ' ' VAL . . . . . 0.407 ' HA ' ' O ' ' A' ' 19' ' ' ILE . 85.0 t -116.48 135.07 57.93 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.222 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.279 -176.118 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 84.7 mt-30 . . . . . 0 C--N 1.329 -0.285 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.046 179.573 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.456 -0.173 0 CA-C-O 120.718 0.294 . . . . 0.0 111.143 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 34.6 Cg_endo -63.93 146.56 91.56 Favored 'Trans proline' 0 N--CA 1.459 -0.535 0 C-N-CA 121.541 1.494 . . . . 0.0 111.269 179.688 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 87.2 t80 -163.36 140.03 7.17 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.317 -0.401 . . . . 0.0 111.208 -176.862 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 72.3 m-85 -89.89 99.17 12.23 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.126 175.938 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 20.2 pt-20 -75.99 -15.34 60.17 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.161 175.887 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 66.1 ttp -137.59 107.99 6.5 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.167 167.76 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 99.5 mttt -95.37 167.35 11.39 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.193 -169.46 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 92.7 mt -83.05 172.29 12.88 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.278 176.677 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 64.0 pttt -135.04 178.79 6.75 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.172 175.161 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 18.2 t-160 -72.84 108.75 5.96 Favored 'General case' 0 C--O 1.234 0.247 0 CA-C-N 116.094 -0.503 . . . . 0.0 111.118 176.078 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 77.8 m-85 -96.41 145.34 25.73 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.421 -0.354 . . . . 0.0 111.414 -176.281 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 99.0 mttt -135.2 139.74 44.76 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.31 -0.404 . . . . 0.0 111.209 177.057 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 10.0 tp -148.38 150.04 14.6 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-N 116.063 -0.517 . . . . 0.0 111.253 -178.229 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 14.9 m-30 -75.02 144.96 42.82 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.412 -0.358 . . . . 0.0 111.243 171.124 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 87.7 tt0 -54.98 124.96 18.42 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 121.027 0.442 . . . . 0.0 111.094 -177.724 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 104.3 -16.21 49.45 Favored Glycine 0 CA--C 1.524 0.613 0 N-CA-C 111.103 -0.799 . . . . 0.0 111.103 171.593 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 91.0 mtp -85.32 154.97 60.16 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 120.931 0.396 . . . . 0.0 111.286 -176.098 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 81.3 Cg_endo -74.91 153.82 42.49 Favored 'Trans proline' 0 N--CA 1.458 -0.615 0 C-N-CA 121.679 1.586 . . . . 0.0 111.289 177.879 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 48.4 t -134.95 123.92 41.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.088 -0.505 . . . . 0.0 111.21 178.285 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 80.8 p -118.45 128.09 54.28 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.085 -179.191 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 35.3 p90 -156.71 161.29 39.84 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.199 175.928 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 13.2 t -153.17 162.08 41.71 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.169 -172.177 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 37.4 t -147.21 147.6 30.63 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.104 -178.191 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 60.8 ttt85 -124.25 136.32 54.06 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.142 -173.93 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 26.9 m -111.87 160.7 11.08 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.432 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.184 -179.388 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -144.81 77.9 1.55 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.229 177.681 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -122.14 -171.7 14.0 Favored Glycine 0 CA--C 1.522 0.474 0 N-CA-C 111.24 -0.744 . . . . 0.0 111.24 176.746 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 34' ' ' ASN . . . . . 0.479 ' HA ' ' HA ' ' A' ' 35' ' ' PRO . 54.1 t-20 -155.25 105.87 2.24 Favored Pre-proline 0 CA--C 1.51 -0.575 0 CA-C-O 121.154 0.502 . . . . 0.0 110.935 178.741 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 35' ' ' PRO . . . . . 0.479 ' HA ' ' HA ' ' A' ' 34' ' ' ASN . 27.5 Cg_exo -70.88 157.16 95.43 Favored 'Cis proline' 0 N--CA 1.458 -0.609 0 C-N-CA 121.563 -2.266 . . . . 0.0 111.202 6.059 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 36' ' ' LYS . . . . . 0.412 ' HA ' ' HD3' ' A' ' 37' ' ' PRO . 98.6 mttt -56.49 126.11 68.62 Favored Pre-proline 0 C--N 1.331 -0.216 0 CA-C-N 116.092 -0.504 . . . . 0.0 111.036 179.766 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 37' ' ' PRO . . . . . 0.64 ' HA ' ' HB3' ' A' ' 86' ' ' ASN . 78.5 Cg_exo -56.72 145.46 82.33 Favored 'Trans proline' 0 N--CA 1.459 -0.556 0 C-N-CA 121.565 1.51 . . . . 0.0 111.234 -176.741 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 98.8 mttt -91.25 97.12 10.93 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.386 173.257 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 94.5 mt -61.28 120.05 6.43 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.144 -171.485 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 80.3 m-85 -112.13 147.65 35.65 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.239 173.609 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 41' ' ' TRP . . . . . . . . . . . . . 92.6 m95 -116.49 139.92 49.94 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-O 121.036 0.446 . . . . 0.0 111.235 178.919 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 42.7 p90 -151.9 146.44 25.65 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.101 -0.5 . . . . 0.0 111.222 170.002 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 13.1 tmtt? -110.11 109.97 20.68 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.194 -173.627 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 92.0 m-20 54.15 33.7 18.5 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.148 -176.963 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 96.83 -1.92 61.7 Favored Glycine 0 CA--C 1.524 0.633 0 N-CA-C 111.194 -0.762 . . . . 0.0 111.194 176.767 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 96.8 mttt -95.26 99.93 11.8 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.865 0.365 . . . . 0.0 111.153 -177.901 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 66.4 tt0 -50.62 127.53 18.19 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.298 -0.41 . . . . 0.0 111.166 -178.777 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 95.5 mt -96.25 124.07 48.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.203 -177.999 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 49' ' ' SER . . . . . 0.419 ' HA ' ' HD3' ' A' ' 50' ' ' PRO . 31.0 t -84.81 131.75 48.3 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.216 174.504 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 50' ' ' PRO . . . . . 0.419 ' HD3' ' HA ' ' A' ' 49' ' ' SER . 55.1 Cg_exo -54.09 137.12 69.42 Favored 'Trans proline' 0 N--CA 1.457 -0.636 0 C-N-CA 121.682 1.588 . . . . 0.0 111.184 178.156 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 97.8 mttt 59.11 57.65 3.42 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.264 -0.426 . . . . 0.0 111.229 178.401 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 14.1 t -94.99 -161.58 0.87 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.101 179.056 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 99.4 m-20 -55.12 -45.17 75.53 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.226 -178.235 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 54' ' ' HIS . . . . . . . . . . . . . 99.3 m-70 -136.52 -6.38 1.98 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.296 179.227 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 55' ' ' TYR . . . . . . . . . . . . . 21.9 m-30 -105.61 95.93 6.15 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.12 -172.427 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 97.9 m -96.43 123.24 40.01 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.116 179.685 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 98.7 mt -110.57 132.62 58.48 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.313 -0.403 . . . . 0.0 111.084 178.061 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 70.0 tp60 -130.0 110.12 11.41 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.041 174.913 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 40.8 ttm105 -101.8 99.94 10.23 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.249 -175.78 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 66.3 t0 -72.4 131.59 42.81 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.315 -0.402 . . . . 0.0 111.176 174.304 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 95.3 mt -67.75 -13.1 61.83 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.033 -0.53 . . . . 0.0 111.21 -175.459 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 99.3 m-20 -63.88 -26.78 68.76 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.394 -0.366 . . . . 0.0 111.055 177.095 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 128.42 3.35 5.67 Favored Glycine 0 CA--C 1.524 0.595 0 N-CA-C 110.961 -0.856 . . . . 0.0 110.961 177.331 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 89.4 m -108.77 137.34 46.86 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.796 0.331 . . . . 0.0 111.245 177.4 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 65' ' ' CYS . . . . . . . . . . . . . 35.9 t -134.6 134.88 41.75 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.109 175.092 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 48.9 m -110.05 146.62 35.04 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.175 -176.469 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 57.7 tp -124.48 111.72 16.04 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.225 172.681 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 56.1 m170 -108.82 122.64 47.6 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.331 -176.216 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 98.2 m -96.83 120.1 36.53 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.133 175.469 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 80.2 m -65.02 -45.12 86.8 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.06 -0.518 . . . . 0.0 111.237 -175.967 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -144.4 88.58 1.94 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.175 -175.884 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 47.3 t -77.13 109.06 10.67 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.186 -177.631 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 52.9 p -110.26 -178.72 3.58 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 116.322 -0.399 . . . . 0.0 111.111 179.538 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 97.2 mt -60.87 -28.69 69.05 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.054 -0.521 . . . . 0.0 111.163 -178.361 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 98.9 m-20 -76.88 -17.54 58.89 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.04 176.758 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 67.6 m-20 -94.92 -14.95 24.01 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.268 178.792 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 57.1 t0 -55.89 127.98 32.88 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.149 173.883 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 160.72 -163.62 34.22 Favored Glycine 0 CA--C 1.524 0.636 0 N-CA-C 111.163 -0.775 . . . . 0.0 111.163 -179.217 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 73.7 m-80 -106.38 108.99 20.78 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.928 0.394 . . . . 0.0 111.135 -174.502 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 80' ' ' TYR . . . . . . . . . . . . . 56.7 m-85 -84.0 70.22 10.43 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.214 177.568 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 85.5 m -64.87 135.19 55.45 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.241 -170.847 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 4.6 tt -108.5 139.97 28.87 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.141 -179.779 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 83' ' ' MET . . . . . . . . . . . . . 64.1 ttp -121.3 120.39 34.96 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.369 -176.4 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -88.73 69.41 8.72 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.348 -0.387 . . . . 0.0 111.039 175.676 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -78.92 124.05 27.86 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.313 -0.403 . . . . 0.0 111.234 -175.84 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 86' ' ' ASN . . . . . 0.64 ' HB3' ' HA ' ' A' ' 37' ' ' PRO . 27.1 p-10 -147.35 178.12 1.55 Allowed Pre-proline 0 C--N 1.329 -0.31 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.238 172.306 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 87' ' ' PRO . . . . . 0.612 ' CD ' ' HB2' ' A' ' 86' ' ' ASN . 76.8 Cg_exo -58.45 -25.05 72.05 Favored 'Trans proline' 0 N--CA 1.456 -0.722 0 C-N-CA 121.788 1.658 . . . . 0.0 111.233 -175.399 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 96.8 mm-40 -92.89 -5.21 51.4 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.16 -170.561 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 143.59 -154.24 25.4 Favored Glycine 0 CA--C 1.525 0.662 0 N-CA-C 111.243 -0.743 . . . . 0.0 111.243 179.953 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 40.5 ptt180 -155.95 149.28 24.64 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.551 0.215 . . . . 0.0 111.185 177.89 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 59.4 t -128.07 130.91 69.81 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.276 176.826 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 31.4 t -103.28 133.93 47.53 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.326 -179.566 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 93' ' ' CYS . . . . . . . . . . . . . 52.6 t -135.39 131.81 36.77 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.297 174.424 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 85.4 m -71.25 128.01 34.48 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.361 -0.382 . . . . 0.0 111.221 -173.708 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -101.61 58.22 0.64 Allowed Glycine 0 CA--C 1.524 0.641 0 N-CA-C 111.041 -0.824 . . . . 0.0 111.041 175.635 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 80.8 ttt180 -58.53 123.07 15.01 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.707 0.289 . . . . 0.0 111.244 -173.49 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 56.8 tp -130.14 114.18 15.4 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.078 172.121 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 98' ' ' MET . . . . . . . . . . . . . 98.3 mmm -99.93 141.28 32.96 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.13 -0.487 . . . . 0.0 111.107 179.731 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 85.9 t -116.38 119.45 61.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.047 -0.524 . . . . 0.0 111.242 -177.132 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 62.8 tp60 . . . . . 0 C--N 1.331 -0.225 0 CA-C-N 116.092 -0.504 . . . . 0.0 111.158 178.158 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.455 -0.21 0 CA-C-O 120.825 0.345 . . . . 0.0 111.197 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 76.5 Cg_exo -54.23 130.76 41.38 Favored 'Trans proline' 0 C--N 1.327 -0.579 0 C-N-CA 121.678 1.586 . . . . 0.0 111.117 -179.942 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 90.3 t80 -144.13 120.25 10.77 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.22 177.65 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 78.2 m-85 -68.71 83.94 0.29 Allowed 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.078 -0.51 . . . . 0.0 111.234 -179.377 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 16.5 pt-20 -64.89 -20.65 66.55 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.197 176.711 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 67.4 ttp -138.06 111.35 7.96 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.153 169.991 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 99.6 mttt -95.36 165.08 12.55 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.19 -172.242 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 90.4 mt -79.59 157.84 27.25 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.293 176.39 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 97.2 mttt -113.64 175.65 5.37 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.24 178.647 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 16.3 t-160 -78.03 106.65 10.04 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.147 173.227 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 76.1 m-85 -97.45 142.62 29.07 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.233 -173.015 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 99.6 mttt -136.6 119.39 16.2 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.294 -0.412 . . . . 0.0 111.239 178.239 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 2.8 pp -137.29 178.59 4.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.194 177.545 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 91.7 m-85 -102.27 145.85 28.85 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.237 -177.814 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . 0.499 ' HG3' ' O ' ' A' ' 21' ' ' GLU . 11.0 pt-20 -54.77 124.98 18.2 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.117 -176.455 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 101.17 -12.85 58.8 Favored Glycine 0 CA--C 1.524 0.634 0 N-CA-C 111.181 -0.767 . . . . 0.0 111.181 173.783 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 98.4 mmm -87.43 150.18 48.38 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 120.883 0.373 . . . . 0.0 111.361 -178.35 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 74.0 Cg_endo -71.32 154.33 61.25 Favored 'Trans proline' 0 N--CA 1.46 -0.498 0 C-N-CA 121.65 1.567 . . . . 0.0 111.264 173.961 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 8.3 p -152.07 130.1 2.59 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.365 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.147 176.256 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 87.2 m -112.09 130.0 56.03 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.244 179.814 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 35.2 p90 -148.46 150.38 33.36 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.246 176.832 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 9.3 t -150.83 155.86 40.07 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.308 -0.406 . . . . 0.0 111.123 -166.307 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 37.7 t -144.79 147.08 32.48 Favored 'General case' 0 C--O 1.234 0.244 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.192 -178.872 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 78.4 ttt180 -127.61 137.87 52.69 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.365 -0.379 . . . . 0.0 111.047 -173.431 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 60.6 t -124.99 125.91 70.33 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.222 -173.312 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -88.14 65.47 8.15 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.169 177.269 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -107.1 162.68 13.38 Favored Glycine 0 CA--C 1.523 0.538 0 N-CA-C 111.196 -0.761 . . . . 0.0 111.196 -177.466 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 34' ' ' ASN . . . . . 0.432 ' HA ' ' HA ' ' A' ' 35' ' ' PRO . 54.0 t-20 -155.06 108.28 2.29 Favored Pre-proline 0 CA--C 1.511 -0.52 0 CA-C-O 121.227 0.537 . . . . 0.0 110.927 178.795 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 35' ' ' PRO . . . . . 0.432 ' HA ' ' HA ' ' A' ' 34' ' ' ASN . 25.1 Cg_exo -74.64 163.35 90.69 Favored 'Cis proline' 0 N--CA 1.458 -0.601 0 C-N-CA 121.484 -2.298 . . . . 0.0 111.233 9.522 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 66.8 mmtt -54.43 117.25 12.77 Favored Pre-proline 0 C--O 1.232 0.176 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.021 179.288 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 37' ' ' PRO . . . . . 0.513 ' HA ' ' HB3' ' A' ' 86' ' ' ASN . 50.3 Cg_exo -58.59 148.3 82.45 Favored 'Trans proline' 0 N--CA 1.458 -0.579 0 C-N-CA 121.687 1.592 . . . . 0.0 111.234 -178.154 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 99.5 mttt -80.03 69.94 6.51 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.209 176.665 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 92.9 mt -41.96 118.45 0.21 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.23 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.181 -170.291 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 75.6 m-85 -107.35 149.51 27.76 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.33 -0.395 . . . . 0.0 111.365 175.938 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 41' ' ' TRP . . . . . . . . . . . . . 83.8 m95 -122.53 139.99 53.27 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-O 121.095 0.474 . . . . 0.0 111.175 176.932 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 42' ' ' PHE . . . . . 0.403 ' HB3' ' HA ' ' A' ' 47' ' ' GLN . 39.2 p90 -152.76 146.43 25.09 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.08 -0.509 . . . . 0.0 111.227 172.288 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 43' ' ' LYS . . . . . 0.421 ' HB2' HD11 ' A' ' 48' ' ' ILE . 11.7 tmtt? -110.04 109.99 20.74 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.241 -174.661 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 92.1 m-20 54.27 33.55 18.5 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.256 -176.54 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 96.25 -0.32 61.89 Favored Glycine 0 CA--C 1.524 0.646 0 N-CA-C 111.29 -0.724 . . . . 0.0 111.29 176.512 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 96.8 mttt -95.04 100.18 12.05 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.924 0.392 . . . . 0.0 111.172 -178.666 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 47' ' ' GLN . . . . . 0.403 ' HA ' ' HB3' ' A' ' 42' ' ' PHE . 66.3 tt0 -52.46 129.56 29.1 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.259 -178.195 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 48' ' ' ILE . . . . . 0.421 HD11 ' HB2' ' A' ' 43' ' ' LYS . 96.3 mt -105.12 124.99 60.22 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.055 -0.521 . . . . 0.0 111.044 -178.608 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 29.8 t -87.09 135.74 34.68 Favored Pre-proline 0 C--N 1.327 -0.379 0 CA-C-N 116.246 -0.433 . . . . 0.0 111.22 173.831 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_exo -54.81 142.41 74.41 Favored 'Trans proline' 0 N--CA 1.457 -0.628 0 C-N-CA 121.692 1.595 . . . . 0.0 111.242 178.206 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 97.8 mttt 59.4 56.71 3.64 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.344 -0.389 . . . . 0.0 111.211 178.447 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 12.6 t -94.86 -161.12 0.83 Allowed 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.344 178.251 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 99.4 m-20 -55.01 -45.94 75.15 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.268 -0.423 . . . . 0.0 111.225 -178.518 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 54' ' ' HIS . . . . . . . . . . . . . 99.8 m-70 -136.56 -6.39 1.97 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.389 177.995 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 55' ' ' TYR . . . . . . . . . . . . . 22.3 m-30 -101.15 93.16 5.32 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.117 -173.376 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 98.8 m -95.1 114.97 26.83 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.175 179.095 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 92.8 mt -106.81 115.15 47.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.345 -0.389 . . . . 0.0 111.148 -179.563 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 98.6 mm-40 -107.76 109.49 21.07 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.157 174.526 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 38.3 ttm105 -99.97 100.02 10.85 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.311 -0.404 . . . . 0.0 111.205 -176.498 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 62.8 t0 -73.17 135.84 44.69 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.355 -0.384 . . . . 0.0 111.24 176.352 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 95.5 mt -69.73 -10.2 57.4 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.114 -177.353 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 99.0 m-20 -67.05 -17.18 64.78 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.152 175.636 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 113.19 13.77 10.52 Favored Glycine 0 CA--C 1.525 0.679 0 N-CA-C 111.081 -0.807 . . . . 0.0 111.081 176.189 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 10.2 t -125.44 141.17 52.21 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.833 0.349 . . . . 0.0 111.191 179.247 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 65' ' ' CYS . . . . . . . . . . . . . 36.3 t -137.2 138.36 40.1 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.154 -177.49 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 42.3 t -118.35 126.73 52.72 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.25 -177.775 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . 0.599 HD23 ' C ' ' A' ' 67' ' ' LEU . 4.1 tt -100.15 82.6 2.55 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.147 177.293 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 70.6 t60 -73.24 120.03 18.3 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.357 -0.383 . . . . 0.0 111.349 179.983 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 89.5 m -100.57 121.04 40.93 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.052 -0.522 . . . . 0.0 111.11 177.283 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 80.6 m -69.55 -44.22 71.35 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.169 -175.1 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -144.93 87.84 1.86 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.213 -175.819 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 43.1 t -82.56 106.76 14.69 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.183 179.986 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 45.3 p -100.69 179.94 4.27 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.075 -0.511 . . . . 0.0 111.203 -178.434 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 94.0 mt -59.13 -32.21 69.64 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.107 -179.379 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 98.9 m-20 -74.99 -15.64 60.65 Favored 'General case' 0 N--CA 1.453 -0.287 0 CA-C-N 116.297 -0.411 . . . . 0.0 111.111 178.477 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 70.2 m-20 -95.19 -2.61 49.35 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.295 178.796 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 57.8 t0 -66.18 127.18 31.16 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.19 176.546 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 161.9 -163.47 34.79 Favored Glycine 0 CA--C 1.525 0.699 0 N-CA-C 111.289 -0.724 . . . . 0.0 111.289 -179.073 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 73.6 m-80 -105.48 109.16 21.03 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 120.861 0.362 . . . . 0.0 111.205 -173.517 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 80' ' ' TYR . . . . . . . . . . . . . 27.9 m-85 -83.68 70.02 10.25 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.088 178.099 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 88.3 m -64.77 134.64 54.56 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.226 -172.485 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 1.8 tt -107.45 140.07 27.03 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.266 -0.425 . . . . 0.0 111.146 177.373 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 83' ' ' MET . . . . . . . . . . . . . 65.9 ttp -122.47 119.94 32.44 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.316 -178.561 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -90.94 79.92 5.83 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.275 -0.421 . . . . 0.0 111.086 178.096 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -92.34 119.13 31.6 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.208 -175.64 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 86' ' ' ASN . . . . . 0.63 ' HB2' ' CD ' ' A' ' 87' ' ' PRO . 21.7 p-10 -140.12 179.89 1.16 Allowed Pre-proline 0 C--N 1.329 -0.289 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.221 172.624 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 87' ' ' PRO . . . . . 0.63 ' CD ' ' HB2' ' A' ' 86' ' ' ASN . 75.6 Cg_exo -58.93 -26.09 79.79 Favored 'Trans proline' 0 N--CA 1.456 -0.704 0 C-N-CA 121.706 1.604 . . . . 0.0 111.249 -174.895 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 96.8 mm-40 -90.24 -4.96 56.87 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.173 -171.976 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 138.53 -172.96 22.78 Favored Glycine 0 CA--C 1.523 0.587 0 N-CA-C 111.234 -0.746 . . . . 0.0 111.234 179.468 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 41.4 ptt180 -144.3 157.52 44.23 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.724 0.297 . . . . 0.0 111.074 -177.751 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 9.2 p -159.83 141.29 4.33 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.196 -179.868 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 67.7 m -111.31 152.12 27.59 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.292 -171.587 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 93' ' ' CYS . . . . . . . . . . . . . 44.0 t -140.46 135.0 31.54 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.314 172.985 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 87.3 m -70.17 129.36 39.18 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.164 -172.98 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -103.98 55.88 0.6 Allowed Glycine 0 CA--C 1.523 0.583 0 N-CA-C 111.211 -0.756 . . . . 0.0 111.211 176.701 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 78.5 ttt180 -53.52 113.19 1.08 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.671 0.272 . . . . 0.0 111.369 -175.407 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 61.4 tp -121.96 109.94 15.22 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.351 -0.386 . . . . 0.0 111.128 172.302 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 98' ' ' MET . . . . . . . . . . . . . 99.0 mmm -96.28 145.19 25.79 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.11 -0.495 . . . . 0.0 111.089 179.866 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 59.2 t -123.48 129.89 74.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-O 121.083 0.468 . . . . 0.0 111.057 -176.757 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 99.5 mm-40 . . . . . 0 C--N 1.331 -0.198 0 CA-C-N 116.07 -0.514 . . . . 0.0 111.26 179.608 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.457 -0.083 0 CA-C-O 120.766 0.317 . . . . 0.0 111.173 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 63.4 Cg_exo -54.66 133.02 54.88 Favored 'Trans proline' 0 N--CA 1.459 -0.537 0 C-N-CA 121.64 1.56 . . . . 0.0 111.248 179.868 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 89.2 t80 -150.93 123.92 8.72 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.282 -0.417 . . . . 0.0 111.149 176.86 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 68.7 m-85 -68.98 84.98 0.33 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.172 179.494 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 16.6 pt-20 -63.8 -21.7 66.55 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.168 174.65 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 66.4 ttp -131.58 112.09 12.31 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.217 167.469 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 98.8 mttt -96.02 165.75 12.1 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.334 -170.264 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 94.1 mt -84.39 170.77 13.24 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.295 177.198 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 64.1 pttt -134.93 178.78 6.76 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.253 176.299 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 18.1 t-160 -72.27 108.14 5.26 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.076 -0.511 . . . . 0.0 111.172 174.477 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 85.1 m-85 -95.17 143.72 26.37 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.31 -0.404 . . . . 0.0 111.268 -175.827 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 99.1 mttt -133.96 138.13 45.28 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.364 177.692 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 10.5 tp -148.93 150.66 13.81 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.366 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.142 -178.1 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 59.6 m-85 -79.22 148.18 32.32 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.318 174.403 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 88.5 tt0 -54.6 123.3 12.73 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.209 -177.326 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 99.97 -13.2 60.65 Favored Glycine 0 CA--C 1.522 0.502 0 N-CA-C 111.254 -0.739 . . . . 0.0 111.254 171.542 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 97.8 mmm -84.98 154.49 60.82 Favored Pre-proline 0 C--N 1.328 -0.331 0 CA-C-O 120.839 0.352 . . . . 0.0 111.345 -176.651 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 72.6 Cg_endo -76.29 154.08 36.26 Favored 'Trans proline' 0 C--N 1.328 -0.504 0 C-N-CA 121.632 1.554 . . . . 0.0 111.192 -179.098 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 57.7 t -134.13 125.4 48.09 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.068 178.069 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 91.4 m -127.19 124.67 39.53 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.249 -179.125 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 51.5 p90 -158.36 164.98 35.81 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.198 172.64 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 11.6 t -146.32 161.65 39.86 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.136 -171.366 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 21.1 t -141.08 142.4 34.15 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.137 -177.941 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 44.2 ttm180 -123.09 137.18 54.99 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.295 -0.412 . . . . 0.0 111.215 -175.099 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 67.5 t -124.49 125.17 69.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.264 -173.717 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -86.61 65.24 8.93 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.254 177.95 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -108.61 160.17 13.83 Favored Glycine 0 CA--C 1.521 0.45 0 N-CA-C 111.231 -0.748 . . . . 0.0 111.231 -178.116 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 34' ' ' ASN . . . . . 0.433 ' HA ' ' HA ' ' A' ' 35' ' ' PRO . 54.1 t-20 -155.03 108.04 2.29 Favored Pre-proline 0 CA--C 1.51 -0.567 0 CA-C-O 121.217 0.532 . . . . 0.0 110.988 178.541 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 35' ' ' PRO . . . . . 0.433 ' HA ' ' HA ' ' A' ' 34' ' ' ASN . 24.6 Cg_exo -74.53 168.98 75.45 Favored 'Cis proline' 0 N--CA 1.456 -0.687 0 C-N-CA 121.579 -2.259 . . . . 0.0 111.211 9.348 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 3.1 mptp? -60.01 115.8 14.57 Favored Pre-proline 0 C--N 1.331 -0.197 0 CA-C-N 116.004 -0.544 . . . . 0.0 111.059 -178.872 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 37' ' ' PRO . . . . . 0.474 ' HA ' ' HB3' ' A' ' 86' ' ' ASN . 52.5 Cg_exo -59.06 150.85 70.49 Favored 'Trans proline' 0 N--CA 1.458 -0.613 0 C-N-CA 121.618 1.546 . . . . 0.0 111.246 -176.213 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 99.2 mttt -81.38 81.75 7.43 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.29 176.016 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 96.2 mt -59.87 123.68 12.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.094 -174.629 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 75.1 m-85 -117.63 144.95 44.69 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.244 174.32 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 41' ' ' TRP . . . . . . . . . . . . . 93.8 m95 -107.79 140.93 40.14 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.245 173.037 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 38.8 p90 -150.33 146.04 26.5 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.353 171.14 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 12.0 tmtt? -110.06 109.99 20.73 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.204 -173.083 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 89.5 m-20 53.79 33.23 16.48 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.144 -176.313 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 96.72 -0.24 60.94 Favored Glycine 0 CA--C 1.525 0.718 0 N-CA-C 111.026 -0.83 . . . . 0.0 111.026 176.673 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 96.9 mttt -95.09 100.33 12.17 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 120.747 0.308 . . . . 0.0 111.115 -178.512 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 66.3 tt0 -51.51 129.03 24.57 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.338 -0.392 . . . . 0.0 111.192 -178.024 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 94.4 mt -100.07 124.94 53.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.167 -179.331 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 30.3 t -87.84 133.03 38.45 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.269 174.296 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_exo -54.7 140.93 76.7 Favored 'Trans proline' 0 N--CA 1.457 -0.67 0 C-N-CA 121.683 1.589 . . . . 0.0 111.242 178.159 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 98.1 mttt 58.73 54.62 5.15 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.197 177.371 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 14.8 t -95.02 -162.19 0.93 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.231 178.488 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 99.6 m-20 -55.74 -45.83 77.94 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.29 -0.414 . . . . 0.0 111.168 -177.631 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 54' ' ' HIS . . . . . . . . . . . . . 99.4 m-70 -135.85 -4.93 2.2 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.11 -0.495 . . . . 0.0 111.206 179.565 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 55' ' ' TYR . . . . . . . . . . . . . 22.0 m-30 -107.38 95.5 5.75 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-O 121.131 0.491 . . . . 0.0 111.082 -173.437 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 98.0 m -99.07 124.51 44.13 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-N 116.059 -0.518 . . . . 0.0 111.11 179.751 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 96.2 mt -114.21 124.52 70.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.312 -0.404 . . . . 0.0 111.081 -179.312 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 99.2 mm-40 -103.84 133.77 48.26 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.133 173.813 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 99.6 mtt180 -116.0 105.79 13.04 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.367 -0.379 . . . . 0.0 111.173 -174.601 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 67.3 t0 -90.73 119.97 31.4 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.328 -0.397 . . . . 0.0 111.273 172.474 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 95.8 mt -70.14 -7.81 44.64 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.217 -170.576 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 96.8 m-20 -69.89 -16.96 63.32 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.322 -0.399 . . . . 0.0 111.014 176.804 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 120.51 22.68 3.03 Favored Glycine 0 CA--C 1.524 0.634 0 N-CA-C 111.024 -0.83 . . . . 0.0 111.024 179.249 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 35.1 m -125.53 142.84 51.29 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-O 120.844 0.354 . . . . 0.0 111.326 -179.145 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 65' ' ' CYS . . . . . . . . . . . . . 20.4 t -140.89 138.08 33.65 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.235 -0.438 . . . . 0.0 111.086 178.35 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 33.3 t -120.73 137.51 54.45 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.065 -0.516 . . . . 0.0 111.303 -174.62 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 64.9 tp -114.87 123.06 48.2 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.193 179.479 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 77.3 t60 -118.19 121.58 40.85 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.255 178.753 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 95.8 m -98.37 119.68 37.48 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.037 -0.529 . . . . 0.0 111.145 171.904 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 79.9 m -64.51 -45.11 88.65 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.277 -175.989 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -144.79 88.3 1.9 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.078 -0.51 . . . . 0.0 111.19 -176.626 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 47.6 t -76.48 107.25 8.62 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.016 -0.538 . . . . 0.0 111.203 -177.274 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 52.3 p -107.06 -179.73 4.02 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.209 -179.685 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 97.3 mt -61.69 -26.77 68.24 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.229 -178.188 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 98.8 m-20 -77.81 -17.81 57.05 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.099 176.132 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 69.0 m-20 -93.97 -13.97 26.44 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.218 178.639 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 57.1 t0 -56.83 127.29 30.93 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.203 174.855 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 161.62 -164.52 35.19 Favored Glycine 0 CA--C 1.525 0.698 0 N-CA-C 111.191 -0.764 . . . . 0.0 111.191 -179.736 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 74.2 m-80 -104.95 108.59 20.19 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-O 120.84 0.353 . . . . 0.0 111.227 -173.95 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 80' ' ' TYR . . . . . . . . . . . . . 52.8 m-85 -84.76 70.47 10.82 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.186 178.331 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 86.5 m -65.05 135.11 55.19 Favored 'General case' 0 C--O 1.234 0.261 0 CA-C-N 116.264 -0.425 . . . . 0.0 111.089 -172.938 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 2.7 tt -108.51 139.96 28.9 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.392 0 CA-C-O 120.968 0.413 . . . . 0.0 111.044 177.841 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 83' ' ' MET . . . . . . . . . . . . . 60.4 ttm -126.78 123.34 37.17 Favored 'General case' 0 C--N 1.332 -0.169 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.258 179.146 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -106.23 92.55 4.18 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.288 -0.415 . . . . 0.0 111.175 178.739 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -102.62 128.93 49.09 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.287 -173.934 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 86' ' ' ASN . . . . . 0.651 ' HB2' ' CD ' ' A' ' 87' ' ' PRO . 22.7 p-10 -141.45 -179.93 1.09 Allowed Pre-proline 0 C--N 1.326 -0.425 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.258 172.355 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 87' ' ' PRO . . . . . 0.651 ' CD ' ' HB2' ' A' ' 86' ' ' ASN . 71.5 Cg_exo -57.91 -25.82 71.52 Favored 'Trans proline' 0 N--CA 1.456 -0.699 0 C-N-CA 121.605 1.537 . . . . 0.0 111.418 -174.676 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 97.9 mm-40 -91.6 -5.11 54.49 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.029 -0.532 . . . . 0.0 111.083 -171.274 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 140.83 -169.15 25.02 Favored Glycine 0 CA--C 1.524 0.651 0 N-CA-C 111.27 -0.732 . . . . 0.0 111.27 -179.309 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 41.1 ptt180 -144.99 159.99 42.07 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.614 0.245 . . . . 0.0 111.224 -179.417 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 14.6 p -152.52 140.0 13.49 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.071 179.145 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 67.0 m -120.12 152.7 37.24 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.918 0.389 . . . . 0.0 111.369 -173.714 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 93' ' ' CYS . . . . . . . . . . . . . 45.5 t -147.42 139.83 24.6 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.284 175.671 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 86.5 m -77.71 127.27 32.18 Favored 'General case' 0 C--O 1.234 0.249 0 CA-C-N 116.302 -0.408 . . . . 0.0 111.321 -173.378 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -99.64 55.44 0.91 Allowed Glycine 0 CA--C 1.524 0.612 0 N-CA-C 111.166 -0.774 . . . . 0.0 111.166 177.355 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 79.9 ttt180 -52.35 115.34 1.7 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.642 0.258 . . . . 0.0 111.252 -177.639 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 61.3 tp -124.47 110.03 14.0 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.222 172.609 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 98' ' ' MET . . . . . . . . . . . . . 98.9 mmm -97.61 141.56 30.49 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.204 -179.951 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 76.3 t -117.22 128.71 74.5 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.264 -0.426 . . . . 0.0 111.205 -176.238 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 99.2 mm-40 . . . . . 0 C--N 1.33 -0.271 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.241 177.862 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.126 0 CA-C-O 120.824 0.345 . . . . 0.0 111.187 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 69.5 Cg_exo -54.84 129.71 36.65 Favored 'Trans proline' 0 N--CA 1.458 -0.583 0 C-N-CA 121.832 1.688 . . . . 0.0 111.236 -179.88 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 90.1 t80 -153.44 123.43 6.91 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.284 -0.416 . . . . 0.0 111.139 172.832 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 35.4 m-85 -70.09 93.32 0.8 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.083 -0.508 . . . . 0.0 111.143 -175.798 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 17.0 pt-20 -63.06 -20.08 65.0 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.15 174.423 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 66.6 ttp -136.1 101.5 4.73 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.143 171.9 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 98.8 mttt -88.12 167.74 13.38 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.22 -172.632 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 95.7 mt -79.16 154.84 28.99 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.209 176.949 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 97.5 mttt -115.01 179.76 3.86 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.087 -0.506 . . . . 0.0 111.247 177.009 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 19.9 t-160 -74.81 110.04 8.77 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.101 -0.499 . . . . 0.0 111.161 173.498 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 69.5 m-85 -101.58 147.44 26.4 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.331 -0.395 . . . . 0.0 111.16 -174.8 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 98.9 mttt -135.07 140.01 45.21 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.244 177.285 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 10.7 tp -150.0 149.56 14.44 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.369 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.035 -178.52 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 56.2 m-85 -77.43 145.93 36.85 Favored 'General case' 0 C--N 1.332 -0.179 0 CA-C-N 116.134 -0.484 . . . . 0.0 111.284 177.943 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 88.4 tt0 -55.43 124.25 16.56 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.2 -176.5 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 94.92 -10.53 70.21 Favored Glycine 0 CA--C 1.524 0.596 0 N-CA-C 111.213 -0.755 . . . . 0.0 111.213 172.616 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 95.9 mmm -90.55 153.12 45.83 Favored Pre-proline 0 C--N 1.327 -0.397 0 CA-C-O 120.895 0.378 . . . . 0.0 111.263 -176.148 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 72.1 Cg_endo -74.74 152.55 42.3 Favored 'Trans proline' 0 C--N 1.329 -0.497 0 C-N-CA 121.676 1.584 . . . . 0.0 111.208 178.489 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 8.8 p -152.63 134.23 5.38 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.173 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.129 176.6 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 82.0 m -119.86 135.32 54.92 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.012 -178.687 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 26.9 p90 -149.99 154.74 38.72 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.128 174.794 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 12.6 t -147.32 162.19 39.47 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.088 -0.506 . . . . 0.0 111.171 -168.384 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 34.1 t -147.44 147.78 30.58 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.303 -0.408 . . . . 0.0 111.186 -177.949 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 43.4 ttm180 -126.22 139.95 52.93 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.293 -0.412 . . . . 0.0 111.16 -175.809 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 10.6 p -124.81 133.62 68.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.195 -175.868 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -92.79 65.12 4.16 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.092 -0.504 . . . . 0.0 111.241 177.573 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -108.09 158.93 14.6 Favored Glycine 0 CA--C 1.521 0.435 0 N-CA-C 111.242 -0.743 . . . . 0.0 111.242 -176.649 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 34' ' ' ASN . . . . . 0.426 ' HA ' ' HA ' ' A' ' 35' ' ' PRO . 54.1 t-20 -154.88 108.89 2.32 Favored Pre-proline 0 CA--C 1.51 -0.558 0 CA-C-O 121.155 0.503 . . . . 0.0 110.986 177.18 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 35' ' ' PRO . . . . . 0.426 ' HA ' ' HA ' ' A' ' 34' ' ' ASN . 24.3 Cg_exo -74.54 165.9 84.3 Favored 'Cis proline' 0 N--CA 1.456 -0.701 0 C-N-CA 121.512 -2.287 . . . . 0.0 111.299 8.909 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 36' ' ' LYS . . . . . 0.411 ' HD2' ' N ' ' A' ' 36' ' ' LYS . 4.6 mptp? -59.6 115.76 13.91 Favored Pre-proline 0 C--N 1.332 -0.181 0 CA-C-N 115.988 -0.551 . . . . 0.0 111.035 -178.724 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 37' ' ' PRO . . . . . 0.574 ' HA ' ' HB3' ' A' ' 86' ' ' ASN . 50.5 Cg_exo -59.92 152.94 60.77 Favored 'Trans proline' 0 N--CA 1.459 -0.512 0 C-N-CA 121.594 1.53 . . . . 0.0 111.182 -176.111 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 99.7 mttt -82.59 70.11 9.5 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.502 177.29 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 77.8 mt -41.96 125.12 0.57 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.222 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.049 -175.633 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 77.6 m-85 -112.04 144.82 40.76 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.234 173.653 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 41' ' ' TRP . . . . . . . . . . . . . 93.6 m95 -109.48 138.81 45.28 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.179 172.203 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 34.7 p90 -152.45 145.86 24.83 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.073 -0.512 . . . . 0.0 111.319 170.992 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 12.1 tmtt? -109.92 109.95 20.73 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.284 -0.416 . . . . 0.0 111.295 -174.522 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 87.9 m-20 53.35 33.19 15.18 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.132 -175.557 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 96.71 0.33 60.69 Favored Glycine 0 CA--C 1.524 0.649 0 N-CA-C 111.082 -0.807 . . . . 0.0 111.082 176.525 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 97.4 mttt -94.93 101.57 13.35 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.872 0.368 . . . . 0.0 111.258 -178.695 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 66.3 tt0 -51.7 129.95 27.35 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.288 -0.414 . . . . 0.0 111.285 -177.265 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 96.1 mt -101.99 125.06 56.21 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.197 -179.557 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 49' ' ' SER . . . . . 0.424 ' HA ' ' HD3' ' A' ' 50' ' ' PRO . 30.3 t -88.75 135.0 32.69 Favored Pre-proline 0 C--N 1.327 -0.41 0 CA-C-N 116.295 -0.412 . . . . 0.0 111.176 175.516 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 50' ' ' PRO . . . . . 0.424 ' HD3' ' HA ' ' A' ' 49' ' ' SER . 53.1 Cg_exo -55.04 138.22 78.11 Favored 'Trans proline' 0 N--CA 1.46 -0.471 0 C-N-CA 121.565 1.51 . . . . 0.0 111.2 178.348 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 97.8 mttt 58.84 57.04 3.8 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.079 -0.509 . . . . 0.0 111.226 177.722 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 13.7 t -94.94 -161.53 0.87 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.228 178.48 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 99.6 m-20 -55.21 -45.34 75.9 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.304 -178.038 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 54' ' ' HIS . . . . . . . . . . . . . 99.4 m-70 -136.22 -5.13 2.1 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.433 179.291 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 55' ' ' TYR . . . . . . . . . . . . . 22.3 m-30 -106.26 94.95 5.43 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.103 -0.499 . . . . 0.0 111.108 -172.935 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 96.8 m -98.95 124.14 43.71 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.166 -179.734 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 96.6 mt -111.14 125.08 68.45 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.236 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.149 -177.765 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 99.2 mm-40 -103.92 136.6 43.27 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.267 172.374 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 62.2 mtp180 -121.18 97.7 5.64 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.322 -0.399 . . . . 0.0 111.232 -172.505 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 67.5 t0 -84.82 120.22 26.2 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.199 173.457 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 96.0 mt -71.54 -7.06 45.24 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.084 -0.507 . . . . 0.0 111.117 -170.187 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 96.4 m-20 -70.08 -16.54 63.14 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.372 -0.376 . . . . 0.0 111.066 176.414 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 120.66 23.37 2.83 Favored Glycine 0 CA--C 1.524 0.631 0 N-CA-C 111.041 -0.824 . . . . 0.0 111.041 179.044 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 47.2 m -126.3 139.93 52.92 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.83 0.348 . . . . 0.0 111.226 -179.424 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 65' ' ' CYS . . . . . . . . . . . . . 11.9 t -140.2 140.06 35.78 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.153 178.026 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 40.0 t -125.48 137.13 53.96 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.164 -174.104 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 66.9 tp -114.32 119.97 38.78 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.178 177.142 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 63.1 t60 -109.79 128.85 55.58 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.335 177.608 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 91.9 m -103.63 118.55 36.98 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.147 173.117 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 83.1 m -66.19 -43.3 87.22 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.236 -175.937 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -142.91 85.83 1.9 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.13 -176.762 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 46.8 t -78.37 106.43 10.29 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.039 -0.528 . . . . 0.0 111.17 -177.159 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 54.4 p -104.96 179.32 4.3 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.193 -179.767 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 97.0 mt -61.86 -26.18 67.99 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.048 -0.524 . . . . 0.0 111.257 -178.672 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 98.8 m-20 -76.85 -19.16 57.82 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.058 -0.519 . . . . 0.0 111.157 175.178 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 67.8 m-20 -93.14 -16.07 25.31 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.11 178.085 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 56.8 t0 -54.96 127.98 31.33 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.195 174.289 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 161.19 -163.94 34.63 Favored Glycine 0 CA--C 1.523 0.591 0 N-CA-C 111.247 -0.741 . . . . 0.0 111.247 -179.813 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 74.5 m-80 -104.94 108.12 19.46 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.89 0.376 . . . . 0.0 111.166 -174.183 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 80' ' ' TYR . . . . . . . . . . . . . 51.2 m-85 -84.32 69.92 10.54 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.088 -0.505 . . . . 0.0 111.264 178.072 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 88.3 m -64.08 133.93 53.96 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.164 -172.53 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 7.8 tt -107.74 140.04 27.53 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.319 -0.401 . . . . 0.0 111.19 177.789 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 83' ' ' MET . . . . . . . . . . . . . 67.1 ttp -131.38 117.06 18.36 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.373 -0.376 . . . . 0.0 111.224 179.872 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -92.39 85.32 5.34 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.343 -0.39 . . . . 0.0 111.106 177.12 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -95.13 131.64 40.93 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.321 -174.017 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 86' ' ' ASN . . . . . 0.627 ' HB2' ' CD ' ' A' ' 87' ' ' PRO . 26.2 p30 -146.6 178.23 1.51 Allowed Pre-proline 0 C--N 1.328 -0.365 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.142 171.93 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 87' ' ' PRO . . . . . 0.627 ' CD ' ' HB2' ' A' ' 86' ' ' ASN . 73.9 Cg_exo -59.01 -25.03 76.22 Favored 'Trans proline' 0 N--CA 1.459 -0.533 0 C-N-CA 121.743 1.629 . . . . 0.0 111.195 -175.073 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 93.6 mm-40 -93.5 -5.05 50.0 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.081 -0.509 . . . . 0.0 111.279 -169.977 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 145.35 -166.86 27.57 Favored Glycine 0 CA--C 1.522 0.505 0 N-CA-C 111.264 -0.735 . . . . 0.0 111.264 -178.22 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 41.2 ptt180 -151.36 159.94 44.02 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-O 120.63 0.252 . . . . 0.0 111.148 179.035 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 11.5 p -147.14 137.04 16.91 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.394 0 CA-C-N 116.305 -0.407 . . . . 0.0 111.279 174.819 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 70.0 m -118.79 151.51 37.91 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.264 -0.425 . . . . 0.0 111.303 -174.152 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 93' ' ' CYS . . . . . . . . . . . . . 53.8 t -150.2 135.53 18.04 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.313 -0.403 . . . . 0.0 111.305 176.087 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 86.3 m -71.17 129.83 39.91 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.306 -175.35 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -102.13 55.62 0.7 Allowed Glycine 0 CA--C 1.524 0.604 0 N-CA-C 111.198 -0.761 . . . . 0.0 111.198 177.792 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 79.6 ttt180 -51.66 114.21 1.2 Allowed 'General case' 0 C--N 1.326 -0.433 0 CA-C-O 120.706 0.288 . . . . 0.0 111.246 -177.511 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 65.2 tp -123.5 110.46 15.1 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.32 -0.4 . . . . 0.0 111.214 171.861 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 98' ' ' MET . . . . . . . . . . . . . 98.8 mmm -97.26 140.86 31.11 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.238 179.991 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 98.9 t -115.26 126.49 72.84 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.294 -0.412 . . . . 0.0 111.312 -176.916 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 63.3 tt0 . . . . . 0 C--N 1.329 -0.287 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.097 179.1 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.457 -0.107 0 CA-C-O 120.709 0.29 . . . . 0.0 111.167 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 33.2 Cg_endo -64.94 136.46 48.72 Favored 'Trans proline' 0 N--CA 1.458 -0.594 0 C-N-CA 121.679 1.586 . . . . 0.0 111.205 -178.185 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 92.1 t80 -150.53 122.11 7.99 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.266 -0.425 . . . . 0.0 111.146 179.48 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 89.7 m-85 -70.88 83.66 0.66 Allowed 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.13 -0.487 . . . . 0.0 111.157 179.349 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 21.6 pt-20 -69.48 -15.92 63.36 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.046 -0.525 . . . . 0.0 111.218 177.25 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 65.6 ttp -138.62 107.2 5.87 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.078 -0.51 . . . . 0.0 111.214 167.336 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 99.2 mttt -92.06 165.59 13.1 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.275 -0.421 . . . . 0.0 111.372 -173.155 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 96.0 mt -81.0 149.6 29.23 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.136 174.139 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 96.5 mttt -107.31 168.59 9.12 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.074 -0.512 . . . . 0.0 111.156 179.994 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 22.9 t-160 -70.77 110.97 5.87 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.127 171.57 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 71.0 m-85 -99.99 143.19 30.49 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.374 -0.376 . . . . 0.0 111.185 -173.454 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 98.7 mttt -122.34 102.09 7.9 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.202 -179.565 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 42.7 mm -121.97 141.39 42.59 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.367 0 CA-C-N 116.099 -0.5 . . . . 0.0 111.218 -172.106 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 43.6 m-85 -73.61 147.05 44.17 Favored 'General case' 0 CA--C 1.519 -0.219 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.289 179.829 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 79.9 tt0 -55.03 120.14 6.48 Favored 'General case' 0 C--N 1.332 -0.155 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.271 -178.94 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 96.54 -12.31 66.34 Favored Glycine 0 CA--C 1.524 0.619 0 N-CA-C 111.127 -0.789 . . . . 0.0 111.127 175.44 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 24.4 ttt -80.05 134.59 55.97 Favored Pre-proline 0 C--N 1.328 -0.359 0 CA-C-O 120.812 0.339 . . . . 0.0 111.341 -178.464 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 60.4 Cg_endo -69.27 148.65 68.71 Favored 'Trans proline' 0 C--N 1.328 -0.51 0 C-N-CA 121.523 1.482 . . . . 0.0 111.213 176.394 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 7.1 p -146.67 134.59 15.22 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.221 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.093 179.325 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 85.7 m -115.77 130.12 56.72 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.214 174.86 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 30.9 p90 -141.19 154.89 46.06 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.081 -0.509 . . . . 0.0 111.107 176.676 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 10.7 t -148.27 155.81 41.78 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.242 -168.253 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 47.4 t -145.0 141.66 29.13 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.311 -0.404 . . . . 0.0 111.144 -176.113 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 58.0 ttt85 -120.01 132.19 55.39 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.08 -172.777 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 98.5 t -120.58 126.28 75.07 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.377 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.302 -175.876 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -87.38 65.12 8.56 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.059 -0.519 . . . . 0.0 111.289 177.606 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -107.11 158.99 14.84 Favored Glycine 0 CA--C 1.523 0.582 0 N-CA-C 111.151 -0.78 . . . . 0.0 111.151 -177.367 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 34' ' ' ASN . . . . . 0.433 ' HA ' ' HA ' ' A' ' 35' ' ' PRO . 54.2 t-20 -154.94 108.19 2.31 Favored Pre-proline 0 CA--C 1.511 -0.554 0 CA-C-O 121.149 0.5 . . . . 0.0 110.977 177.069 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 35' ' ' PRO . . . . . 0.433 ' HA ' ' HA ' ' A' ' 34' ' ' ASN . 24.0 Cg_exo -74.31 166.4 82.76 Favored 'Cis proline' 0 N--CA 1.455 -0.768 0 C-N-CA 121.749 -2.188 . . . . 0.0 111.323 8.443 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 5.0 mptp? -59.14 116.68 16.8 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.068 179.536 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 37' ' ' PRO . . . . . 0.513 ' HA ' ' HB3' ' A' ' 86' ' ' ASN . 77.3 Cg_exo -55.85 147.07 64.0 Favored 'Trans proline' 0 C--N 1.328 -0.526 0 C-N-CA 121.618 1.545 . . . . 0.0 111.218 -176.632 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 98.7 mttt -73.8 69.66 1.37 Allowed 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.383 175.279 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 44.0 mm -43.05 120.75 0.4 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.183 -170.517 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 82.4 m-85 -107.16 140.48 39.95 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.113 176.102 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 41' ' ' TRP . . . . . . . . . . . . . 91.7 m95 -113.86 135.17 54.26 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.061 -0.518 . . . . 0.0 111.219 174.999 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 33.7 p90 -153.24 146.21 24.52 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.088 -0.505 . . . . 0.0 111.242 173.147 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 12.6 tmtt? -110.01 110.0 20.77 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.182 -174.133 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 90.0 m-20 54.72 32.8 18.13 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.246 -0.433 . . . . 0.0 111.091 -176.257 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 95.85 -0.05 62.49 Favored Glycine 0 CA--C 1.525 0.706 0 N-CA-C 111.118 -0.793 . . . . 0.0 111.118 176.936 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 97.0 mttt -95.1 100.92 12.66 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.874 0.368 . . . . 0.0 111.19 -178.797 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 66.4 tt0 -50.92 128.72 21.95 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.25 -178.067 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 95.6 mt -98.45 125.06 51.88 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.381 0 CA-C-N 116.294 -0.412 . . . . 0.0 111.157 -178.452 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 49' ' ' SER . . . . . 0.411 ' HA ' ' HD3' ' A' ' 50' ' ' PRO . 31.1 t -84.15 131.07 52.08 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-N 116.266 -0.425 . . . . 0.0 111.131 174.161 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 50' ' ' PRO . . . . . 0.411 ' HD3' ' HA ' ' A' ' 49' ' ' SER . 54.3 Cg_exo -54.87 136.17 71.08 Favored 'Trans proline' 0 N--CA 1.457 -0.651 0 C-N-CA 121.849 1.699 . . . . 0.0 111.121 178.594 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 97.9 mttt 59.02 57.66 3.45 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-O 120.944 0.402 . . . . 0.0 111.183 178.372 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 14.9 t -94.96 -161.49 0.86 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.294 178.812 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 99.5 m-20 -55.03 -45.49 75.18 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.241 -177.941 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 54' ' ' HIS . . . . . . . . . . . . . 99.5 m-70 -136.73 -5.09 1.97 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.444 179.979 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 55' ' ' TYR . . . . . . . . . . . . . 22.0 m-30 -107.34 95.84 5.99 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.144 -173.007 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 97.1 m -99.12 118.61 36.25 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.164 -178.846 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 97.9 mt -102.88 130.54 52.8 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.313 -0.403 . . . . 0.0 111.185 179.179 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 70.4 tp60 -130.05 109.93 11.23 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.242 174.034 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 83.5 mtm180 -104.47 114.68 29.07 Favored 'General case' 0 C--O 1.235 0.301 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.16 -177.284 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 65.0 t0 -87.13 130.57 34.47 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 116.287 -0.415 . . . . 0.0 111.25 174.372 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 95.1 mt -65.82 -14.4 61.33 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.091 -0.504 . . . . 0.0 111.041 -176.324 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 30.3 t70 -61.17 -32.53 72.26 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.326 -0.397 . . . . 0.0 111.075 176.532 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 132.39 0.32 4.56 Favored Glycine 0 CA--C 1.525 0.696 0 N-CA-C 110.977 -0.849 . . . . 0.0 110.977 177.098 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 97.4 m -107.82 122.82 47.56 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.633 0.254 . . . . 0.0 111.318 177.73 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 65' ' ' CYS . . . . . . . . . . . . . 84.9 m -123.33 140.85 52.59 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.254 178.285 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 95.0 p -124.85 149.28 47.64 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.186 -173.063 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 57.6 tp -127.6 123.98 36.99 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.069 -0.514 . . . . 0.0 111.13 173.401 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 68.6 t60 -108.38 129.92 55.23 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.223 -179.662 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 99.2 m -104.64 114.71 29.1 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.053 -0.521 . . . . 0.0 111.154 172.102 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 82.6 m -67.41 -39.95 85.54 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.202 -175.725 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -137.46 87.32 2.26 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.298 -0.41 . . . . 0.0 111.104 -177.198 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 37.4 t -81.21 93.46 6.49 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.185 -178.14 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 43.8 p -101.08 178.1 4.76 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.127 -179.64 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 97.0 mt -62.29 -25.27 67.77 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.262 -177.763 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 98.6 m-20 -78.49 -19.31 53.3 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.203 175.349 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 68.1 m-20 -94.57 -12.77 26.86 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.206 178.511 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 57.9 t0 -55.42 128.94 36.67 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.227 172.852 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 160.55 -162.9 33.73 Favored Glycine 0 CA--C 1.524 0.598 0 N-CA-C 111.148 -0.781 . . . . 0.0 111.148 179.678 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 74.4 m-20 -107.21 106.32 16.73 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 121.03 0.443 . . . . 0.0 111.105 -173.911 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 80' ' ' TYR . . . . . . . . . . . . . 42.5 m-85 -81.71 70.8 8.68 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.001 -0.545 . . . . 0.0 111.279 177.531 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 87.7 m -65.13 134.72 54.37 Favored 'General case' 0 C--O 1.233 0.237 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.114 -170.654 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 1.4 tt -110.0 138.26 38.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.141 176.172 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 83' ' ' MET . . . . . . . . . . . . . 65.6 ttp -122.0 120.69 35.12 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.293 -176.899 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -91.66 82.52 5.27 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.078 177.153 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -95.06 118.24 31.53 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.291 -0.413 . . . . 0.0 111.197 -177.309 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 86' ' ' ASN . . . . . 0.647 ' HB2' ' CD ' ' A' ' 87' ' ' PRO . 24.8 p-10 -141.27 -179.98 1.1 Allowed Pre-proline 0 C--N 1.327 -0.376 0 CA-C-N 116.009 -0.541 . . . . 0.0 111.01 174.584 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 87' ' ' PRO . . . . . 0.647 ' CD ' ' HB2' ' A' ' 86' ' ' ASN . 75.8 Cg_exo -59.01 -24.9 75.6 Favored 'Trans proline' 0 N--CA 1.457 -0.666 0 C-N-CA 121.615 1.543 . . . . 0.0 111.307 -174.827 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 97.6 mm-40 -92.25 1.88 56.95 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.188 -172.846 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 130.61 -174.97 19.56 Favored Glycine 0 CA--C 1.522 0.519 0 N-CA-C 111.328 -0.709 . . . . 0.0 111.328 178.595 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 40.5 ptt180 -140.88 150.06 42.73 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.715 0.293 . . . . 0.0 111.237 -177.715 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 7.2 p -154.31 139.95 11.01 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.379 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.143 178.908 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 96.6 p -109.26 156.16 20.26 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.29 -0.414 . . . . 0.0 111.272 -172.399 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 93' ' ' CYS . . . . . . . . . . . . . 43.0 t -141.87 139.86 32.74 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.311 172.859 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 88.2 m -80.6 114.41 19.47 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.413 -170.4 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -85.03 65.85 3.97 Favored Glycine 0 CA--C 1.523 0.554 0 N-CA-C 111.301 -0.719 . . . . 0.0 111.301 174.712 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 80.7 ttt180 -64.89 107.94 1.62 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.603 0.239 . . . . 0.0 111.282 -174.004 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 56.5 tp -116.41 109.88 17.92 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.407 -0.36 . . . . 0.0 111.282 174.751 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 98' ' ' MET . . . . . . . . . . . . . 65.4 ttp -101.94 134.11 45.67 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.11 -179.324 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 95.0 t -110.58 129.87 64.93 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.219 0 CA-C-N 116.053 -0.521 . . . . 0.0 111.265 -174.353 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 65.0 tt0 . . . . . 0 C--N 1.33 -0.268 0 CA-C-N 116.085 -0.507 . . . . 0.0 111.265 178.141 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.13 0 CA-C-O 120.8 0.333 . . . . 0.0 111.185 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 33.9 Cg_endo -65.19 136.19 46.6 Favored 'Trans proline' 0 N--CA 1.459 -0.524 0 C-N-CA 121.703 1.602 . . . . 0.0 111.134 -178.167 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 90.3 t80 -151.15 122.59 7.88 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.311 -0.404 . . . . 0.0 111.23 179.996 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 84.6 m-85 -70.49 84.16 0.59 Allowed 'General case' 0 C--N 1.332 -0.185 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.184 179.955 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 21.1 pt-20 -68.63 -15.17 63.44 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.188 176.816 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 66.0 ttp -137.15 102.62 4.88 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.214 166.986 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 98.9 mttt -87.57 168.77 12.76 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.176 -173.196 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 94.9 mt -82.72 150.27 26.81 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.194 176.713 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 97.0 mttt -104.83 166.21 10.54 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.353 -0.385 . . . . 0.0 111.209 176.185 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 19.3 t-160 -66.79 110.23 3.19 Favored 'General case' 0 C--O 1.234 0.268 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.061 172.132 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 60.7 m-85 -100.57 145.8 27.9 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 116.44 -0.345 . . . . 0.0 111.284 -173.98 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 98.9 mttt -135.69 139.3 43.57 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.168 176.687 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 9.5 tp -148.3 152.33 12.56 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-N 116.099 -0.5 . . . . 0.0 111.121 -177.623 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 47.2 m-85 -79.66 145.95 32.73 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.214 172.783 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 87.4 tt0 -55.01 125.07 18.87 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.272 -176.399 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 104.17 -17.79 47.16 Favored Glycine 0 CA--C 1.524 0.618 0 N-CA-C 111.221 -0.752 . . . . 0.0 111.221 172.673 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 97.7 mmm -83.33 152.72 64.96 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 120.686 0.279 . . . . 0.0 111.414 -175.385 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 72.1 Cg_endo -74.91 152.41 41.2 Favored 'Trans proline' 0 C--N 1.327 -0.586 0 C-N-CA 121.796 1.664 . . . . 0.0 111.218 178.61 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 42.1 t -136.05 125.51 39.68 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.116 179.354 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 89.7 m -117.92 126.99 53.41 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.151 178.604 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 29.8 p90 -151.91 155.71 38.64 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.21 175.921 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 10.4 t -149.62 158.18 43.93 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.082 -171.679 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 15.4 t -140.9 144.16 35.07 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.122 -177.119 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 58.2 ttt85 -122.31 133.75 54.67 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.358 -0.383 . . . . 0.0 111.169 -175.121 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 61.0 t -121.89 125.75 73.63 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.309 -173.969 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -88.02 65.4 8.21 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.121 -0.491 . . . . 0.0 111.312 177.296 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -107.45 160.48 14.05 Favored Glycine 0 CA--C 1.521 0.446 0 N-CA-C 111.325 -0.71 . . . . 0.0 111.325 -177.597 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 34' ' ' ASN . . . . . 0.428 ' HA ' ' HA ' ' A' ' 35' ' ' PRO . 54.1 t-20 -154.87 107.43 2.32 Favored Pre-proline 0 CA--C 1.51 -0.56 0 CA-C-O 121.254 0.55 . . . . 0.0 110.982 177.069 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 35' ' ' PRO . . . . . 0.428 ' HA ' ' HA ' ' A' ' 34' ' ' ASN . 24.9 Cg_exo -74.38 166.57 82.37 Favored 'Cis proline' 0 N--CA 1.456 -0.678 0 C-N-CA 121.525 -2.281 . . . . 0.0 111.279 9.064 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 4.8 mptp? -59.39 116.32 15.83 Favored Pre-proline 0 C--N 1.331 -0.224 0 CA-C-N 116.005 -0.543 . . . . 0.0 111.055 179.384 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 37' ' ' PRO . . . . . 0.513 ' HA ' ' HB3' ' A' ' 86' ' ' ASN . 64.1 Cg_exo -57.12 151.21 52.15 Favored 'Trans proline' 0 N--CA 1.459 -0.555 0 C-N-CA 121.785 1.657 . . . . 0.0 111.095 -176.342 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 99.6 mttt -79.43 67.02 5.05 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.093 -0.503 . . . . 0.0 111.415 175.351 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 84.9 mt -42.02 122.45 0.42 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.246 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.128 -171.617 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 80.7 m-85 -109.63 145.34 36.62 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.076 -0.511 . . . . 0.0 111.253 175.944 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 41' ' ' TRP . . . . . . . . . . . . . 94.5 m95 -114.66 139.79 49.36 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.213 173.934 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 35.8 p90 -153.36 145.58 23.86 Favored 'General case' 0 C--N 1.333 -0.128 0 CA-C-N 116.099 -0.5 . . . . 0.0 111.171 170.801 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 12.4 tmtt? -109.93 109.98 20.77 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.064 -0.516 . . . . 0.0 111.101 -174.301 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 93.5 m-20 54.05 33.25 17.22 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.178 -176.08 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 95.58 1.14 62.24 Favored Glycine 0 CA--C 1.527 0.794 0 N-CA-C 111.171 -0.772 . . . . 0.0 111.171 176.662 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 97.0 mttt -94.92 100.72 12.53 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.955 0.407 . . . . 0.0 111.204 -179.277 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 66.3 tt0 -51.64 129.68 26.5 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.241 -177.527 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 96.5 mt -102.09 124.62 56.08 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.229 0 CA-C-N 116.097 -0.501 . . . . 0.0 111.256 -179.141 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 49' ' ' SER . . . . . 0.422 ' HA ' ' HD3' ' A' ' 50' ' ' PRO . 30.0 t -90.43 137.24 27.56 Favored Pre-proline 0 C--N 1.327 -0.4 0 CA-C-N 116.49 -0.323 . . . . 0.0 111.246 174.465 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 50' ' ' PRO . . . . . 0.422 ' HD3' ' HA ' ' A' ' 49' ' ' SER . 53.3 Cg_exo -54.59 138.5 75.22 Favored 'Trans proline' 0 N--CA 1.456 -0.724 0 C-N-CA 121.802 1.668 . . . . 0.0 111.24 178.152 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 98.1 mttt 57.91 56.91 4.42 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.319 -0.4 . . . . 0.0 111.346 177.503 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 14.7 t -94.97 -162.39 0.94 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.084 -0.507 . . . . 0.0 111.257 178.879 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 99.5 m-20 -55.34 -45.73 76.4 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.222 -177.784 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 54' ' ' HIS . . . . . . . . . . . . . 99.3 m-70 -136.3 -5.03 2.08 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.072 -0.513 . . . . 0.0 111.286 179.571 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 55' ' ' TYR . . . . . . . . . . . . . 22.2 m-30 -108.05 96.24 6.23 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.157 -173.283 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 97.4 m -99.84 125.54 45.81 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.177 -179.299 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 95.9 mt -110.39 122.32 64.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.317 -179.026 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 99.4 mm-40 -102.39 132.42 48.41 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.186 172.77 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 99.8 mtt180 -115.26 108.11 16.15 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.296 -174.463 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 66.8 t0 -94.29 120.75 34.98 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.15 172.141 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 95.3 mt -67.36 -12.17 59.51 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.175 -172.373 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 22.3 t70 -65.32 -22.44 66.83 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.43 -0.35 . . . . 0.0 111.016 177.689 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 123.85 17.27 3.14 Favored Glycine 0 CA--C 1.524 0.653 0 N-CA-C 111.048 -0.821 . . . . 0.0 111.048 178.484 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 88.2 m -118.11 139.54 51.1 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-O 120.736 0.303 . . . . 0.0 111.311 177.171 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 65' ' ' CYS . . . . . . . . . . . . . 13.6 t -137.18 138.06 39.83 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.974 176.685 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 37.4 t -121.38 136.96 54.9 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.112 -0.494 . . . . 0.0 111.169 -174.364 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 62.3 tp -116.95 120.15 37.54 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.237 177.838 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 81.6 t60 -111.88 126.23 54.88 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.295 -0.412 . . . . 0.0 111.187 -178.644 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 98.4 m -98.13 117.49 32.62 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.013 172.008 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 82.4 m -63.37 -44.82 93.7 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.33 -176.127 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -143.61 87.83 1.96 Allowed 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.081 -0.509 . . . . 0.0 111.123 -176.856 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 48.4 t -75.68 107.5 7.88 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.191 -176.472 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 56.3 p -106.09 179.83 4.15 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.293 179.18 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 97.5 mt -61.6 -26.4 67.96 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.289 -178.264 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 99.7 m-20 -77.7 -20.24 53.91 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.175 175.432 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 69.9 m-20 -91.62 -11.12 38.02 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.022 -0.535 . . . . 0.0 111.161 177.988 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 57.4 t0 -59.7 126.44 27.61 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.246 172.966 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 161.13 -164.24 34.76 Favored Glycine 0 CA--C 1.525 0.657 0 N-CA-C 111.194 -0.762 . . . . 0.0 111.194 -179.041 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 74.2 m-20 -105.35 109.06 20.89 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.746 0.308 . . . . 0.0 111.162 -174.206 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 80' ' ' TYR . . . . . . . . . . . . . 61.9 m-85 -82.96 70.06 9.89 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.387 177.644 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 86.3 m -65.1 134.64 54.22 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.12 -171.989 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 1.7 tt -110.06 140.0 30.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.217 176.911 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 83' ' ' MET . . . . . . . . . . . . . 66.4 ttp -124.55 120.32 31.63 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.238 -178.601 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -92.32 84.46 5.18 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.077 177.514 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -95.08 119.51 33.71 Favored 'General case' 0 C--O 1.233 0.205 0 CA-C-N 116.092 -0.504 . . . . 0.0 111.275 -176.194 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 86' ' ' ASN . . . . . 0.642 ' HB2' ' CD ' ' A' ' 87' ' ' PRO . 24.8 p-10 -141.03 179.99 1.12 Allowed Pre-proline 0 C--N 1.329 -0.313 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.191 174.43 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 87' ' ' PRO . . . . . 0.642 ' CD ' ' HB2' ' A' ' 86' ' ' ASN . 77.7 Cg_exo -59.01 -25.04 76.26 Favored 'Trans proline' 0 N--CA 1.456 -0.709 0 C-N-CA 121.7 1.6 . . . . 0.0 111.272 -175.104 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 96.8 mm-40 -93.26 4.09 54.56 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.075 -0.511 . . . . 0.0 111.25 -172.52 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 128.97 -173.27 19.43 Favored Glycine 0 CA--C 1.522 0.528 0 N-CA-C 111.237 -0.745 . . . . 0.0 111.237 178.477 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 41.0 ptt180 -142.4 152.65 43.04 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-O 120.596 0.236 . . . . 0.0 111.283 -178.178 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 7.2 p -153.4 139.07 11.52 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.181 179.16 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 98.5 p -108.22 159.8 16.33 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.257 -173.096 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 93' ' ' CYS . . . . . . . . . . . . . 50.3 t -148.99 135.55 19.52 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.305 173.3 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 88.3 m -72.76 129.97 39.41 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.325 -0.398 . . . . 0.0 111.286 -172.291 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -103.59 55.3 0.64 Allowed Glycine 0 CA--C 1.524 0.65 0 N-CA-C 111.086 -0.806 . . . . 0.0 111.086 176.934 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 79.8 ttt180 -54.05 115.8 2.23 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 120.648 0.261 . . . . 0.0 111.305 -175.539 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 55.1 tp -125.43 112.22 16.02 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.333 -0.394 . . . . 0.0 111.118 171.082 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 98' ' ' MET . . . . . . . . . . . . . 98.8 mmm -97.34 141.65 30.18 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.248 179.718 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 64.8 t -117.91 124.95 73.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.182 -177.484 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 64.0 tt0 . . . . . 0 C--N 1.33 -0.277 0 CA-C-O 121.093 0.473 . . . . 0.0 111.172 177.462 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.456 -0.162 0 CA-C-O 120.799 0.333 . . . . 0.0 111.137 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_exo -54.97 132.73 53.96 Favored 'Trans proline' 0 N--CA 1.458 -0.595 0 C-N-CA 121.65 1.567 . . . . 0.0 111.363 178.833 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 90.2 t80 -154.16 121.44 5.73 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 120.954 0.407 . . . . 0.0 111.253 177.19 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 76.1 m-85 -69.74 87.36 0.51 Allowed 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.156 -179.976 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 16.8 pt-20 -64.82 -20.14 66.23 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.059 -0.519 . . . . 0.0 111.302 175.185 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 67.5 ttp -137.93 113.02 9.18 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 115.903 -0.59 . . . . 0.0 111.01 170.227 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 99.0 mttt -98.29 166.22 11.49 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.267 -170.196 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 94.2 mt -82.64 170.35 15.23 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.319 -0.401 . . . . 0.0 111.208 176.605 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 63.9 pttt -134.84 179.91 6.01 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.311 177.258 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 19.9 t-160 -71.96 111.34 7.13 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.09 176.206 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 77.4 m-85 -100.33 146.25 27.18 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.279 -177.184 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 99.1 mttt -133.9 138.8 45.77 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.209 178.035 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 9.9 tp -150.6 151.9 12.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.094 -178.953 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 54.2 m-85 -82.03 141.59 33.08 Favored 'General case' 0 CA--C 1.521 -0.154 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.328 172.135 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . 0.424 ' HG3' ' O ' ' A' ' 21' ' ' GLU . 14.5 pt-20 -53.48 125.03 16.54 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.38 -176.755 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 106.71 -16.99 39.75 Favored Glycine 0 CA--C 1.526 0.738 0 N-CA-C 111.118 -0.793 . . . . 0.0 111.118 173.711 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 98.0 mmm -86.47 153.62 56.1 Favored Pre-proline 0 C--N 1.327 -0.385 0 CA-C-O 120.823 0.344 . . . . 0.0 111.234 -176.741 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 73.1 Cg_endo -74.82 152.4 41.7 Favored 'Trans proline' 0 N--CA 1.457 -0.658 0 C-N-CA 121.71 1.606 . . . . 0.0 111.18 179.038 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 59.5 t -134.93 128.88 50.54 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.165 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.066 178.999 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 88.4 m -127.79 128.24 44.96 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.138 179.676 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 35.4 p90 -155.74 165.39 36.65 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.12 172.178 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 10.5 t -148.97 160.71 43.05 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.334 -170.318 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 35.5 t -147.37 141.97 26.59 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.433 -0.349 . . . . 0.0 111.163 -177.35 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 43.2 ttm180 -121.47 138.37 54.32 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.354 -0.385 . . . . 0.0 111.11 -171.202 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 87.4 t -124.96 125.1 69.05 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.082 -0.508 . . . . 0.0 111.331 -174.261 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -86.7 64.65 8.62 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.269 177.872 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -107.52 155.2 16.39 Favored Glycine 0 CA--C 1.521 0.466 0 N-CA-C 111.265 -0.734 . . . . 0.0 111.265 179.049 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 34' ' ' ASN . . . . . 0.443 ' HA ' ' HA ' ' A' ' 35' ' ' PRO . 54.1 t-20 -156.12 109.49 2.09 Favored Pre-proline 0 CA--C 1.511 -0.551 0 CA-C-O 121.183 0.516 . . . . 0.0 110.956 179.551 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 35' ' ' PRO . . . . . 0.443 ' HA ' ' HA ' ' A' ' 34' ' ' ASN . 58.1 Cg_endo -74.67 169.31 74.63 Favored 'Cis proline' 0 N--CA 1.457 -0.642 0 C-N-CA 121.58 -2.258 . . . . 0.0 111.205 5.127 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 36' ' ' LYS . . . . . 0.424 ' HA ' ' HD3' ' A' ' 37' ' ' PRO . 63.3 tttm -52.28 122.87 26.22 Favored Pre-proline 0 C--N 1.33 -0.257 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.067 178.906 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 37' ' ' PRO . . . . . 0.424 ' HD3' ' HA ' ' A' ' 36' ' ' LYS . 31.7 Cg_exo -61.16 162.31 20.14 Favored 'Trans proline' 0 N--CA 1.457 -0.652 0 C-N-CA 121.627 1.552 . . . . 0.0 111.262 177.951 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 99.4 mttt -78.03 69.57 4.27 Favored 'General case' 0 N--CA 1.454 -0.247 0 CA-C-O 120.916 0.388 . . . . 0.0 111.486 174.905 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 76.8 mt -70.41 135.2 28.64 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.196 0 CA-C-N 116.044 -0.526 . . . . 0.0 111.085 -171.483 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 40.3 p90 -146.82 165.72 28.84 Favored 'General case' 0 N--CA 1.456 -0.159 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.207 177.946 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 41' ' ' TRP . . . . . . . . . . . . . 70.7 m95 -113.76 150.03 34.01 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-O 121.086 0.469 . . . . 0.0 111.169 -179.226 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 39.0 p90 -152.05 145.81 25.06 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.017 -0.538 . . . . 0.0 111.313 170.064 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 12.7 tmtt? -110.16 109.87 20.53 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.233 -174.813 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 92.0 m-20 53.27 33.6 15.87 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.094 -176.615 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 97.11 -0.75 60.5 Favored Glycine 0 CA--C 1.524 0.636 0 N-CA-C 111.137 -0.785 . . . . 0.0 111.137 176.331 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 97.0 mttt -96.33 100.13 11.77 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.81 0.338 . . . . 0.0 111.06 -178.718 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 66.0 tt0 -52.34 129.87 29.52 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.318 -0.401 . . . . 0.0 111.172 -177.399 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 91.7 mt -99.32 125.27 52.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.185 -177.582 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 30.0 t -86.43 132.79 41.84 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-N 116.357 -0.383 . . . . 0.0 111.289 173.872 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 57.7 Cg_exo -55.03 140.39 80.09 Favored 'Trans proline' 0 N--CA 1.459 -0.556 0 C-N-CA 121.649 1.566 . . . . 0.0 111.191 179.324 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 98.1 mttt 57.72 57.26 4.33 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.287 177.903 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 12.2 t -94.96 -160.85 0.81 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.091 -0.504 . . . . 0.0 111.228 179.201 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 99.5 m-20 -56.43 -46.18 80.41 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.313 -0.403 . . . . 0.0 111.232 -178.152 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 54' ' ' HIS . . . . . . . . . . . . . 99.5 m-70 -136.11 -5.12 2.13 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.313 178.721 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 55' ' ' TYR . . . . . . . . . . . . . 22.1 m-30 -106.76 96.35 6.38 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.983 0.42 . . . . 0.0 111.15 -173.168 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 97.5 m -99.97 123.52 44.31 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.067 -0.515 . . . . 0.0 111.096 -179.196 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 94.6 mt -109.31 121.2 61.97 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.173 179.98 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 99.0 mm-40 -100.94 129.58 46.81 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.298 -0.41 . . . . 0.0 111.226 172.857 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 99.3 mtt180 -115.54 101.97 9.36 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.167 -175.685 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 67.6 t0 -86.77 120.66 28.3 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.365 -0.379 . . . . 0.0 111.157 174.536 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 95.2 mt -68.55 -9.84 51.94 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.029 -0.532 . . . . 0.0 111.187 -171.372 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 96.0 m-20 -65.03 -21.1 66.78 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.339 -0.392 . . . . 0.0 110.971 175.141 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 122.05 21.31 2.89 Favored Glycine 0 CA--C 1.524 0.623 0 N-CA-C 111.057 -0.817 . . . . 0.0 111.057 179.435 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 61.9 m -122.21 137.3 54.88 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 120.89 0.376 . . . . 0.0 111.194 -177.26 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 65' ' ' CYS . . . . . . . . . . . . . 97.3 m -130.01 136.31 49.25 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 116.055 -0.52 . . . . 0.0 111.088 177.824 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 37.4 t -124.56 137.31 54.41 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.017 -0.538 . . . . 0.0 111.122 -176.866 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 68.1 tp -117.22 122.08 42.99 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.164 179.711 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 79.1 t60 -115.34 124.41 51.18 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.297 -0.411 . . . . 0.0 111.351 178.756 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 94.8 m -99.45 119.66 38.35 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.05 172.07 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 82.3 m -61.95 -46.78 87.8 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.071 -0.513 . . . . 0.0 111.345 -176.337 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -144.63 88.36 1.91 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.016 -0.538 . . . . 0.0 111.107 -177.022 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 43.7 t -76.76 106.8 8.65 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.118 -177.225 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 50.6 p -104.51 179.3 4.31 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.245 -179.26 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 98.3 mt -61.26 -26.1 67.53 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 115.985 -0.552 . . . . 0.0 111.316 -178.295 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 98.8 m-20 -79.47 -17.59 53.87 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.069 -0.514 . . . . 0.0 111.071 177.049 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 68.7 m-20 -92.13 -12.01 34.09 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.273 179.072 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 56.5 t0 -55.26 128.14 32.66 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.324 175.306 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 162.24 -165.15 35.87 Favored Glycine 0 CA--C 1.523 0.582 0 N-CA-C 111.242 -0.743 . . . . 0.0 111.242 179.777 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 73.9 m-80 -105.6 108.39 19.88 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.887 0.375 . . . . 0.0 111.16 -174.281 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 80' ' ' TYR . . . . . . . . . . . . . 69.0 m-85 -85.0 70.06 10.88 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.18 178.439 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 88.7 m -68.9 135.04 50.42 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.093 -172.019 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 3.0 tt -107.51 138.77 32.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.146 175.467 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 83' ' ' MET . . . . . . . . . . . . . 59.0 ttm -125.68 129.63 49.94 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.328 -0.396 . . . . 0.0 111.364 179.377 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -98.49 65.33 1.62 Allowed 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.199 176.202 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -77.88 136.27 38.02 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.307 -175.118 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 86' ' ' ASN . . . . . 0.583 ' HB2' ' CD ' ' A' ' 87' ' ' PRO . 35.4 p30 -155.04 175.47 3.1 Favored Pre-proline 0 C--N 1.328 -0.327 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.116 171.273 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 87' ' ' PRO . . . . . 0.583 ' CD ' ' HB2' ' A' ' 86' ' ' ASN . 77.8 Cg_exo -58.02 -25.13 69.09 Favored 'Trans proline' 0 N--CA 1.455 -0.741 0 C-N-CA 121.769 1.646 . . . . 0.0 111.338 -175.725 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 96.6 mm-40 -91.01 -5.1 55.82 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.073 -0.512 . . . . 0.0 111.24 -172.974 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 142.56 177.87 18.0 Favored Glycine 0 CA--C 1.523 0.585 0 N-CA-C 111.283 -0.727 . . . . 0.0 111.283 -179.569 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 40.5 ptt180 -144.54 153.79 42.2 Favored 'General case' 0 C--O 1.234 0.286 0 CA-C-O 120.631 0.253 . . . . 0.0 111.143 -177.555 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 9.2 p -153.72 137.49 8.51 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.401 0 CA-C-N 116.314 -0.403 . . . . 0.0 111.07 177.67 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 98.7 p -111.94 155.37 23.82 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.265 -175.461 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 93' ' ' CYS . . . . . . . . . . . . . 52.8 t -143.17 127.35 17.56 Favored 'General case' 0 C--O 1.236 0.375 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.292 173.504 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 90.3 m -68.97 128.44 36.71 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.408 -0.36 . . . . 0.0 111.315 -171.667 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -101.4 55.39 0.76 Allowed Glycine 0 CA--C 1.523 0.552 0 N-CA-C 111.239 -0.744 . . . . 0.0 111.239 176.412 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 79.5 ttt180 -52.1 114.8 1.43 Allowed 'General case' 0 C--N 1.327 -0.408 0 CA-C-O 120.866 0.365 . . . . 0.0 111.205 -177.222 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 61.4 tp -123.73 109.51 13.78 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.253 171.508 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 98' ' ' MET . . . . . . . . . . . . . 98.9 mmm -97.49 140.04 32.51 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.289 -0.414 . . . . 0.0 111.15 179.731 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 59.2 t -116.91 130.02 72.5 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-N 116.123 -0.489 . . . . 0.0 111.102 -175.607 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 99.5 mm-40 . . . . . 0 C--N 1.328 -0.343 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.222 179.365 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.454 -0.261 0 CA-C-O 120.569 0.223 . . . . 0.0 111.278 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 28.6 Cg_endo -62.01 144.52 96.32 Favored 'Trans proline' 0 N--CA 1.455 -0.747 0 C-N-CA 121.678 1.586 . . . . 0.0 111.29 -179.968 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 84.4 t80 -159.99 140.18 11.68 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 120.871 0.367 . . . . 0.0 111.226 -175.209 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 79.0 m-85 -89.75 99.02 12.11 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.123 177.951 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 88.0 tt0 -57.12 -39.54 75.32 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.043 -0.526 . . . . 0.0 111.299 172.775 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 66.4 ttp -130.27 120.62 24.69 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.048 -0.523 . . . . 0.0 111.124 174.2 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 98.8 mttt -99.55 164.62 12.0 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.263 -171.851 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 96.0 mt -81.67 154.39 26.12 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.309 -179.768 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 97.4 mttt -114.97 -180.0 3.79 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.202 175.892 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 21.0 t-160 -75.03 111.67 10.49 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.119 173.586 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 68.5 m-85 -103.03 147.54 26.83 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.322 -0.399 . . . . 0.0 111.22 -174.529 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 98.9 mttt -135.48 139.91 44.41 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.286 177.307 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 10.4 tp -150.13 147.33 16.18 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.08 -179.391 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 38.5 m-85 -74.93 145.07 42.93 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.235 178.558 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 87.5 tt0 -54.71 122.16 10.08 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.15 -177.564 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 98.19 -13.1 63.49 Favored Glycine 0 CA--C 1.523 0.561 0 N-CA-C 111.261 -0.736 . . . . 0.0 111.261 173.267 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 97.8 mmm -88.23 152.47 50.32 Favored Pre-proline 0 C--N 1.33 -0.27 0 CA-C-O 120.844 0.354 . . . . 0.0 111.292 -176.164 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 74.3 Cg_endo -74.31 150.49 41.86 Favored 'Trans proline' 0 N--CA 1.457 -0.626 0 C-N-CA 121.769 1.646 . . . . 0.0 111.31 177.344 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 8.3 p -149.32 134.82 11.18 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.38 0 CA-C-N 116.275 -0.421 . . . . 0.0 111.135 176.618 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 85.2 m -120.86 134.46 55.29 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.087 -179.37 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 34.4 p90 -150.17 154.67 38.41 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.193 173.799 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 11.9 t -146.24 160.01 42.56 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.343 -166.9 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 29' ' ' CYS . . . . . 0.425 ' SG ' HD13 ' A' ' 82' ' ' ILE . 49.8 t -148.28 150.47 33.71 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.342 -0.39 . . . . 0.0 111.175 -178.701 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 59.1 ttt85 -125.42 132.08 52.8 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.286 -0.415 . . . . 0.0 111.121 -172.721 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 35.9 m -109.72 155.15 10.99 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.242 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.242 176.557 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -145.12 76.81 1.5 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.069 -0.514 . . . . 0.0 111.298 179.68 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -120.76 -167.3 13.3 Favored Glycine 0 CA--C 1.522 0.504 0 N-CA-C 111.344 -0.703 . . . . 0.0 111.344 177.765 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 34' ' ' ASN . . . . . 0.496 ' HA ' ' HA ' ' A' ' 35' ' ' PRO . 54.1 t-20 -155.18 106.12 2.25 Favored Pre-proline 0 CA--C 1.511 -0.555 0 CA-C-O 121.194 0.521 . . . . 0.0 110.942 179.142 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 35' ' ' PRO . . . . . 0.496 ' HA ' ' HA ' ' A' ' 34' ' ' ASN . 26.2 Cg_exo -69.65 156.37 92.53 Favored 'Cis proline' 0 N--CA 1.457 -0.656 0 C-N-CA 121.405 -2.331 . . . . 0.0 111.377 3.838 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 36' ' ' LYS . . . . . 0.407 ' HA ' ' HD3' ' A' ' 37' ' ' PRO . 98.9 mttt -55.76 125.21 60.9 Favored Pre-proline 0 C--N 1.33 -0.279 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.146 178.385 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 37' ' ' PRO . . . . . 0.635 ' HA ' ' HB3' ' A' ' 86' ' ' ASN . 77.7 Cg_exo -56.56 144.91 83.38 Favored 'Trans proline' 0 N--CA 1.457 -0.638 0 C-N-CA 121.783 1.656 . . . . 0.0 111.188 -176.272 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 98.7 mttt -88.76 100.03 12.82 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.29 173.872 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 86.2 mt -64.28 117.14 4.47 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.328 -0.396 . . . . 0.0 111.027 -171.899 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 82.5 m-85 -111.73 148.29 33.8 Favored 'General case' 0 C--O 1.234 0.242 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.23 172.738 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 41' ' ' TRP . . . . . . . . . . . . . 91.4 m95 -116.1 140.18 49.54 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.187 179.006 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 46.5 p90 -152.52 147.54 26.33 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.255 169.603 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 11.2 tmtt? -110.01 108.56 18.84 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.188 -173.382 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 60.4 m-20 45.49 42.66 8.11 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.301 -0.409 . . . . 0.0 111.134 -176.795 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 98.18 -2.88 59.77 Favored Glycine 0 CA--C 1.523 0.584 0 N-CA-C 111.189 -0.764 . . . . 0.0 111.189 173.333 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 96.0 mttt -98.56 97.83 9.08 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.811 0.339 . . . . 0.0 111.239 -177.301 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 66.4 tt0 -51.3 129.72 25.36 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.318 -179.116 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 94.2 mt -100.73 124.11 54.12 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.284 -0.417 . . . . 0.0 111.197 -178.084 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 49' ' ' SER . . . . . 0.408 ' HA ' ' HD3' ' A' ' 50' ' ' PRO . 29.5 t -92.05 135.89 26.64 Favored Pre-proline 0 C--N 1.328 -0.346 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.198 175.735 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 50' ' ' PRO . . . . . 0.408 ' HD3' ' HA ' ' A' ' 49' ' ' SER . 50.7 Cg_exo -54.95 143.56 71.93 Favored 'Trans proline' 0 N--CA 1.456 -0.701 0 C-N-CA 121.739 1.626 . . . . 0.0 111.173 176.813 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 98.2 mttt 57.57 53.02 7.7 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.175 176.757 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 13.9 t -94.9 -162.0 0.91 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.101 -0.5 . . . . 0.0 111.159 178.552 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 99.4 m-20 -55.78 -46.95 77.83 Favored 'General case' 0 N--CA 1.454 -0.257 0 CA-C-O 121.039 0.447 . . . . 0.0 111.326 -177.999 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 54' ' ' HIS . . . . . . . . . . . . . 99.2 m-70 -136.15 -5.02 2.12 Favored 'General case' 0 C--O 1.234 0.285 0 CA-C-N 115.993 -0.549 . . . . 0.0 111.255 179.39 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 55' ' ' TYR . . . . . . . . . . . . . 22.3 m-30 -105.19 105.23 15.17 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.073 -173.278 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 98.5 m -106.53 124.62 49.88 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.165 179.028 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 95.7 mt -111.01 122.05 64.79 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 CA-C-N 116.356 -0.384 . . . . 0.0 111.198 179.472 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 97.2 mm-40 -115.16 105.0 12.41 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.081 -0.509 . . . . 0.0 111.273 174.617 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 40.4 ttm105 -100.89 100.02 10.6 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.115 -175.375 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 65.8 t0 -73.64 130.76 40.69 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.06 -0.518 . . . . 0.0 111.206 173.496 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 95.0 mt -66.79 -14.61 62.82 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.189 -174.26 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 22.0 t70 -63.53 -28.02 69.66 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.424 -0.353 . . . . 0.0 111.167 178.105 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 133.33 -4.59 4.87 Favored Glycine 0 CA--C 1.525 0.671 0 N-CA-C 111.109 -0.796 . . . . 0.0 111.109 175.869 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 98.8 m -101.46 134.59 44.32 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.862 0.363 . . . . 0.0 111.27 178.034 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 65' ' ' CYS . . . . . . . . . . . . . 48.6 t -134.8 132.44 38.69 Favored 'General case' 0 C--O 1.235 0.303 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.166 175.848 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 29.5 t -108.63 140.03 42.57 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.341 -0.39 . . . . 0.0 111.276 -177.615 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 64.9 tp -113.46 119.53 37.9 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.996 -0.547 . . . . 0.0 111.117 172.101 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 70.4 t60 -110.62 129.95 55.69 Favored 'General case' 0 C--N 1.332 -0.165 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.155 179.819 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 94.8 m -105.91 118.57 36.95 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.078 -0.51 . . . . 0.0 111.117 172.121 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 80.5 m -65.74 -43.6 88.51 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.229 -175.56 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -142.82 85.93 1.91 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.068 -0.514 . . . . 0.0 111.138 -176.677 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 48.1 t -78.38 107.35 10.95 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.176 -177.269 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 54.0 p -105.61 178.34 4.59 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.066 -0.515 . . . . 0.0 111.129 -179.809 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 95.5 mt -61.79 -25.59 67.58 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.216 -178.413 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 98.7 m-20 -76.44 -20.25 57.25 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.171 174.56 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 67.8 m-20 -92.16 -17.06 25.43 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.245 177.675 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 57.6 t0 -54.73 130.18 39.66 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.379 -0.373 . . . . 0.0 111.201 175.269 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 160.58 -148.84 17.55 Favored Glycine 0 CA--C 1.523 0.56 0 N-CA-C 111.139 -0.784 . . . . 0.0 111.139 179.174 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 44.4 m-80 -119.99 105.37 10.98 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.961 0.41 . . . . 0.0 111.145 -171.041 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 80' ' ' TYR . . . . . . . . . . . . . 32.0 m-85 -84.87 70.47 10.87 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.076 -0.511 . . . . 0.0 111.213 -179.301 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 87.0 m -63.02 133.67 54.93 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.168 -171.792 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 82' ' ' ILE . . . . . 0.425 HD13 ' SG ' ' A' ' 29' ' ' CYS . 6.0 tt -104.59 140.09 23.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.31 -0.405 . . . . 0.0 111.146 177.287 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 83' ' ' MET . . . . . . . . . . . . . 63.6 tpp -119.44 119.91 35.3 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.38 -0.373 . . . . 0.0 111.35 -177.44 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -88.45 71.89 8.93 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.031 174.717 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -83.16 125.07 31.13 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.273 -176.026 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 86' ' ' ASN . . . . . 0.635 ' HB3' ' HA ' ' A' ' 37' ' ' PRO . 27.3 p-10 -147.62 177.94 1.61 Allowed Pre-proline 0 C--N 1.329 -0.313 0 CA-C-N 116.049 -0.523 . . . . 0.0 111.102 173.324 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 87' ' ' PRO . . . . . 0.608 ' CD ' ' HB2' ' A' ' 86' ' ' ASN . 70.7 Cg_exo -59.17 -24.93 76.13 Favored 'Trans proline' 0 N--CA 1.457 -0.642 0 C-N-CA 121.571 1.514 . . . . 0.0 111.263 -175.136 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 96.9 mm-40 -94.49 1.96 55.72 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.068 -171.153 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 137.37 -162.14 25.36 Favored Glycine 0 CA--C 1.523 0.559 0 N-CA-C 111.319 -0.712 . . . . 0.0 111.319 179.362 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 40.8 ptt180 -152.36 145.59 24.68 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.71 0.291 . . . . 0.0 111.172 178.356 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 60.6 t -134.24 130.17 54.18 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.185 177.206 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 90.7 p -95.3 157.31 15.95 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.293 -179.429 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 93' ' ' CYS . . . . . . . . . . . . . 51.8 t -150.73 129.99 12.79 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.169 170.831 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 89.2 m -66.83 127.5 32.71 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.247 -172.828 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -100.03 57.02 0.82 Allowed Glycine 0 CA--C 1.524 0.613 0 N-CA-C 111.165 -0.774 . . . . 0.0 111.165 175.772 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 80.1 ttt180 -52.95 113.45 1.1 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.763 0.316 . . . . 0.0 111.304 -176.231 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 63.8 tp -123.83 110.22 14.6 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.102 172.343 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 98' ' ' MET . . . . . . . . . . . . . 98.8 mmm -97.17 144.3 27.14 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.251 179.904 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 96.5 t -114.44 130.2 69.16 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.385 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.22 -177.167 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 96.5 mm-40 . . . . . 0 C--N 1.33 -0.273 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.118 -174.758 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.457 -0.108 0 CA-C-O 120.811 0.339 . . . . 0.0 111.273 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 57.7 Cg_exo -55.0 135.8 70.24 Favored 'Trans proline' 0 N--CA 1.458 -0.61 0 C-N-CA 121.768 1.645 . . . . 0.0 111.209 179.535 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 90.0 t80 -154.27 123.87 6.62 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.37 -0.377 . . . . 0.0 111.192 178.469 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 72.1 m-85 -70.1 86.19 0.55 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.099 179.899 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 15.7 pt-20 -65.0 -21.33 66.83 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.269 172.112 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 67.1 ttp -133.34 113.52 12.67 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.086 -0.507 . . . . 0.0 111.118 168.287 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 99.0 mttt -96.75 165.89 11.91 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.259 -170.613 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 96.2 mt -83.39 171.89 13.03 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.14 177.183 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 64.1 pttt -134.9 178.85 6.7 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.176 175.336 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 18.0 t-160 -72.33 108.21 5.33 Favored 'General case' 0 C--O 1.234 0.245 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.123 174.618 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 85.7 m-85 -95.26 143.98 26.21 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.487 -0.324 . . . . 0.0 111.285 -175.79 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 98.9 mttt -134.77 139.28 45.02 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.103 -0.499 . . . . 0.0 111.098 177.459 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 10.4 tp -149.0 150.46 13.97 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.101 -0.5 . . . . 0.0 111.157 -178.364 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 38.3 m-85 -79.0 145.06 34.13 Favored 'General case' 0 C--O 1.232 0.161 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.295 173.582 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 86.9 tt0 -55.09 124.92 18.42 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.312 -0.404 . . . . 0.0 111.075 -177.159 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 102.45 -16.36 55.15 Favored Glycine 0 CA--C 1.524 0.599 0 N-CA-C 111.199 -0.76 . . . . 0.0 111.199 173.378 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 98.1 mmm -85.03 153.99 60.35 Favored Pre-proline 0 C--N 1.328 -0.354 0 CA-C-O 120.712 0.292 . . . . 0.0 111.352 -176.184 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 72.3 Cg_endo -75.42 154.2 40.37 Favored 'Trans proline' 0 C--N 1.326 -0.617 0 C-N-CA 121.752 1.635 . . . . 0.0 111.265 179.495 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 59.3 t -133.19 124.96 50.45 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-N 116.324 -0.398 . . . . 0.0 111.206 178.045 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 91.4 m -127.63 123.42 35.57 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.094 -179.069 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 52.0 p90 -157.84 164.98 36.42 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.071 -0.513 . . . . 0.0 111.202 172.581 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 12.5 t -145.89 161.26 40.42 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.237 -171.233 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 11.5 t -139.45 148.89 43.36 Favored 'General case' 0 C--O 1.234 0.264 0 CA-C-N 116.354 -0.384 . . . . 0.0 111.312 179.99 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 78.3 ttt180 -132.96 138.92 47.06 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-O 120.843 0.354 . . . . 0.0 111.219 -174.218 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 30.8 m -124.7 148.81 28.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.092 -0.503 . . . . 0.0 111.177 -179.881 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -99.15 65.02 1.41 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.25 174.797 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -104.61 160.49 15.56 Favored Glycine 0 CA--C 1.522 0.531 0 N-CA-C 111.201 -0.76 . . . . 0.0 111.201 -174.941 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 34' ' ' ASN . . . . . 0.445 ' HA ' ' C ' ' A' ' 35' ' ' PRO . 54.2 t-20 -156.23 107.05 2.06 Favored Pre-proline 0 CA--C 1.511 -0.545 0 CA-C-O 121.131 0.491 . . . . 0.0 110.937 177.719 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 35' ' ' PRO . . . . . 0.445 ' C ' ' HA ' ' A' ' 34' ' ' ASN . 24.5 Cg_exo -74.49 165.55 85.2 Favored 'Cis proline' 0 N--CA 1.457 -0.639 0 C-N-CA 121.539 -2.275 . . . . 0.0 111.28 9.306 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 36' ' ' LYS . . . . . 0.461 ' HD2' ' N ' ' A' ' 36' ' ' LYS . 4.2 mptp? -59.91 115.45 12.99 Favored Pre-proline 0 C--N 1.328 -0.358 0 CA-C-N 116.045 -0.525 . . . . 0.0 111.057 -179.065 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 37' ' ' PRO . . . . . 0.483 ' HA ' ' HB3' ' A' ' 86' ' ' ASN . 52.7 Cg_exo -57.13 145.39 86.66 Favored 'Trans proline' 0 N--CA 1.46 -0.478 0 C-N-CA 121.559 1.506 . . . . 0.0 111.262 -177.945 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 99.7 mttt -80.83 69.7 7.44 Favored 'General case' 0 N--CA 1.455 -0.194 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.536 176.223 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 88.1 mt -42.6 122.18 0.45 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.085 -0.507 . . . . 0.0 111.202 -172.86 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 75.3 m-85 -109.64 150.01 28.87 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.124 174.705 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 41' ' ' TRP . . . . . . . . . . . . . 92.2 m95 -115.86 141.67 47.79 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.089 -0.505 . . . . 0.0 111.12 173.111 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 42' ' ' PHE . . . . . 0.401 ' HB3' ' HA ' ' A' ' 47' ' ' GLN . 40.6 p90 -150.52 146.17 26.43 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.088 -0.505 . . . . 0.0 111.326 171.034 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 12.3 tmtt? -109.98 110.0 20.78 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.193 -172.581 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 89.3 m-20 53.9 33.36 17.08 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.068 -176.565 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 96.58 -0.8 61.51 Favored Glycine 0 CA--C 1.525 0.688 0 N-CA-C 111.154 -0.778 . . . . 0.0 111.154 176.787 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 96.9 mttt -95.07 100.04 11.93 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.834 0.349 . . . . 0.0 111.234 -178.367 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 47' ' ' GLN . . . . . 0.401 ' HA ' ' HB3' ' A' ' 42' ' ' PHE . 66.3 tt0 -51.09 127.31 18.74 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.248 -178.474 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 95.0 mt -96.93 124.95 50.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.278 -178.924 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 49' ' ' SER . . . . . 0.423 ' HA ' ' HD3' ' A' ' 50' ' ' PRO . 30.3 t -84.34 130.23 54.8 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-N 116.393 -0.367 . . . . 0.0 111.221 174.289 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 50' ' ' PRO . . . . . 0.423 ' HD3' ' HA ' ' A' ' 49' ' ' SER . 52.9 Cg_exo -54.82 139.89 78.05 Favored 'Trans proline' 0 N--CA 1.456 -0.693 0 C-N-CA 121.587 1.525 . . . . 0.0 111.209 178.006 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 98.1 mttt 58.65 54.68 5.19 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.112 -0.495 . . . . 0.0 111.192 177.593 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 14.9 t -94.9 -162.08 0.92 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.189 178.831 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 99.6 m-20 -55.62 -45.36 77.54 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.224 -177.439 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 54' ' ' HIS . . . . . . . . . . . . . 99.7 m-70 -136.16 -5.0 2.12 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.069 -0.514 . . . . 0.0 111.176 -179.634 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 55' ' ' TYR . . . . . . . . . . . . . 22.0 m-30 -108.54 96.27 6.23 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 120.991 0.424 . . . . 0.0 111.079 -173.103 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 98.3 m -98.24 124.89 43.08 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.115 179.914 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 95.9 mt -115.3 128.15 72.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.194 179.063 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 68.7 tp60 -122.39 110.03 15.14 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.217 177.003 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 41.6 ttm105 -100.77 100.02 10.63 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.332 -0.395 . . . . 0.0 111.211 -174.511 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 67.3 t0 -71.08 123.68 22.68 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.303 170.061 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 98.2 mt -74.59 -1.14 20.24 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.055 -0.52 . . . . 0.0 111.19 -170.205 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 96.7 m-20 -74.54 -14.16 60.76 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.353 -0.385 . . . . 0.0 110.977 174.0 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 121.1 21.81 3.05 Favored Glycine 0 CA--C 1.522 0.506 0 N-CA-C 111.098 -0.801 . . . . 0.0 111.098 177.284 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 63.9 m -129.24 140.02 51.62 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.767 0.318 . . . . 0.0 111.264 -178.695 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 65' ' ' CYS . . . . . . . . . . . . . 48.6 t -140.02 131.31 26.68 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.18 178.617 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 30.1 t -108.71 141.26 40.96 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.124 -177.971 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 61.1 tp -115.78 123.13 47.47 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.133 175.114 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 79.4 t60 -117.17 122.81 45.08 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.284 179.158 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 96.3 m -99.6 119.84 38.72 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.291 171.455 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 84.2 m -63.5 -46.4 86.26 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.331 -0.395 . . . . 0.0 111.303 -176.006 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -144.8 88.44 1.91 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.046 -176.448 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 47.2 t -76.57 110.05 10.82 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.033 -177.076 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 52.6 p -110.08 179.94 3.96 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.06 -0.518 . . . . 0.0 111.182 179.788 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 97.6 mt -61.93 -26.75 68.37 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.277 -178.536 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 98.7 m-20 -77.02 -17.89 58.52 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 116.091 -0.504 . . . . 0.0 111.094 175.486 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 68.2 m-20 -93.97 -15.58 24.75 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.125 178.287 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 57.2 t0 -54.85 128.46 33.24 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.12 175.353 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 161.5 -164.22 34.96 Favored Glycine 0 CA--C 1.523 0.594 0 N-CA-C 111.24 -0.744 . . . . 0.0 111.24 179.804 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 74.6 m-80 -105.04 107.62 18.69 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-O 120.894 0.378 . . . . 0.0 111.139 -174.238 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 80' ' ' TYR . . . . . . . . . . . . . 51.1 m-85 -84.65 70.37 10.76 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.062 -0.517 . . . . 0.0 111.266 178.383 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 85.8 m -64.49 133.86 53.28 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-N 116.303 -0.408 . . . . 0.0 111.216 -171.596 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 3.9 tt -104.59 142.63 17.56 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.062 178.102 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 83' ' ' MET . . . . . . . . . . . . . 67.8 ttp -132.84 117.17 17.41 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.364 178.919 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -93.1 90.77 7.02 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.317 -0.401 . . . . 0.0 111.17 178.904 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -98.15 126.64 43.7 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.219 -174.383 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 86' ' ' ASN . . . . . 0.629 ' HB2' ' CD ' ' A' ' 87' ' ' PRO . 22.8 p-10 -141.8 179.88 1.12 Allowed Pre-proline 0 C--N 1.328 -0.35 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.205 172.422 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 87' ' ' PRO . . . . . 0.629 ' CD ' ' HB2' ' A' ' 86' ' ' ASN . 78.4 Cg_exo -59.12 -25.94 79.86 Favored 'Trans proline' 0 N--CA 1.457 -0.664 0 C-N-CA 121.743 1.628 . . . . 0.0 111.262 -175.179 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 97.6 mm-40 -92.38 -4.99 52.99 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.255 -170.626 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 141.9 -165.22 26.61 Favored Glycine 0 CA--C 1.524 0.618 0 N-CA-C 111.192 -0.763 . . . . 0.0 111.192 -179.58 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 41.2 ptt180 -150.02 159.93 44.02 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 120.596 0.236 . . . . 0.0 111.181 -179.418 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 14.8 p -151.77 139.83 14.12 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.337 -0.392 . . . . 0.0 111.09 178.185 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 69.3 m -118.45 153.25 34.43 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.154 -171.767 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 93' ' ' CYS . . . . . . . . . . . . . 50.4 t -150.01 136.26 18.86 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.24 175.266 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 89.2 m -69.57 128.95 38.29 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.301 -0.409 . . . . 0.0 111.217 -174.298 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -101.82 55.99 0.71 Allowed Glycine 0 CA--C 1.523 0.533 0 N-CA-C 111.174 -0.77 . . . . 0.0 111.174 176.726 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 79.8 ttt180 -52.86 115.48 1.85 Allowed 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 120.637 0.256 . . . . 0.0 111.219 -176.836 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 60.6 tp -124.39 109.99 13.99 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.264 -0.425 . . . . 0.0 111.104 172.04 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 98' ' ' MET . . . . . . . . . . . . . 98.8 mmm -97.72 141.8 30.29 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.373 -179.796 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 68.0 t -116.97 125.03 73.65 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.431 0 CA-C-N 116.288 -0.414 . . . . 0.0 111.301 -177.031 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 64.1 tt0 . . . . . 0 C--N 1.329 -0.302 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.162 177.857 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.455 -0.207 0 CA-C-O 120.772 0.32 . . . . 0.0 111.142 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 60.1 Cg_endo -73.78 154.01 48.58 Favored 'Trans proline' 0 N--CA 1.457 -0.675 0 C-N-CA 121.655 1.57 . . . . 0.0 111.233 -177.437 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 55.6 p90 -155.01 154.53 32.65 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.329 -0.396 . . . . 0.0 111.047 175.69 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 71.9 m-85 -80.44 121.26 25.51 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.078 -174.854 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 87.4 tt0 -77.06 -30.13 55.44 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.152 167.738 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 68.3 ttp -145.0 113.02 6.42 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.258 177.076 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 99.3 mttt -92.12 168.7 11.18 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.375 -172.04 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 97.6 mt -81.18 171.52 14.79 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.299 176.022 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 64.0 pttt -135.23 179.66 6.19 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.353 175.994 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 18.1 t-160 -71.69 107.22 4.41 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.198 175.599 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 80.3 m-85 -95.92 145.11 25.66 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.271 -176.895 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 98.9 mttt -133.96 139.6 46.21 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.149 176.853 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 10.8 tp -148.88 150.0 14.44 Favored 'Isoleucine or valine' 0 C--O 1.233 0.222 0 CA-C-N 116.056 -0.52 . . . . 0.0 111.205 -179.658 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 16.5 m-30 -75.59 144.84 41.58 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.31 -0.405 . . . . 0.0 111.42 172.154 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 85.1 tt0 -54.91 125.77 21.66 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.275 -0.421 . . . . 0.0 111.1 -176.984 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 101.19 -14.45 58.33 Favored Glycine 0 CA--C 1.525 0.687 0 N-CA-C 111.138 -0.785 . . . . 0.0 111.138 171.404 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 88.6 mtp -86.21 155.13 57.66 Favored Pre-proline 0 C--N 1.326 -0.417 0 CA-C-O 120.885 0.374 . . . . 0.0 111.288 -177.056 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 72.7 Cg_endo -75.16 154.99 42.15 Favored 'Trans proline' 0 N--CA 1.458 -0.562 0 C-N-CA 121.638 1.559 . . . . 0.0 111.15 179.457 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 61.9 t -133.31 125.6 51.15 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.147 178.112 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 87.6 m -124.5 122.96 39.05 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.117 -179.11 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 47.1 p90 -155.22 168.14 28.05 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.171 172.119 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 13.4 t -148.38 157.64 43.6 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.175 -173.446 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 12.5 t -139.53 143.89 37.63 Favored 'General case' 0 C--O 1.234 0.269 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.187 -178.868 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 60.3 ttt85 -120.3 129.77 54.16 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.39 -0.368 . . . . 0.0 111.256 -174.793 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . 0.424 HG21 ' HB2' ' A' ' 84' ' ' ALA . 71.6 t -118.95 124.74 73.68 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.395 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.311 179.863 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -94.16 64.97 3.33 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.042 -0.526 . . . . 0.0 111.295 178.826 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -95.79 171.49 28.9 Favored Glycine 0 CA--C 1.523 0.543 0 N-CA-C 111.136 -0.785 . . . . 0.0 111.136 -176.462 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 34' ' ' ASN . . . . . 0.482 ' HA ' ' HA ' ' A' ' 35' ' ' PRO . 54.2 t-20 -161.26 106.51 1.23 Allowed Pre-proline 0 CA--C 1.511 -0.555 0 CA-C-O 121.208 0.528 . . . . 0.0 110.927 -178.424 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 35' ' ' PRO . . . . . 0.482 ' HA ' ' HA ' ' A' ' 34' ' ' ASN . 23.7 Cg_exo -74.37 168.21 77.61 Favored 'Cis proline' 0 N--CA 1.458 -0.603 0 C-N-CA 121.575 -2.26 . . . . 0.0 111.096 7.844 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 69.0 mmtt -52.68 114.54 5.85 Favored Pre-proline 0 C--N 1.332 -0.186 0 CA-C-N 116.059 -0.519 . . . . 0.0 111.199 178.489 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 35.1 Cg_exo -63.51 157.51 50.59 Favored 'Trans proline' 0 N--CA 1.46 -0.457 0 C-N-CA 121.495 1.463 . . . . 0.0 111.178 -177.447 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 98.7 mttt -88.72 70.26 8.75 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.332 174.29 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 95.4 mt -42.39 121.9 0.42 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.061 -0.518 . . . . 0.0 111.22 -173.047 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 76.2 m-85 -109.96 151.05 27.61 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.303 -0.408 . . . . 0.0 111.235 174.769 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 41' ' ' TRP . . . . . . . . . . . . . 86.1 m95 -119.74 141.82 49.1 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.255 174.265 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 38.8 p90 -152.31 146.25 25.23 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.087 -0.506 . . . . 0.0 111.298 172.026 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 11.8 tmtt? -109.96 109.99 20.77 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.127 -174.723 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 95.8 m-20 54.54 31.48 14.99 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.195 -176.493 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 103.77 -19.5 44.17 Favored Glycine 0 CA--C 1.524 0.605 0 N-CA-C 111.217 -0.753 . . . . 0.0 111.217 177.343 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 88.1 tttt -79.67 109.97 14.57 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 120.77 0.319 . . . . 0.0 111.234 -176.753 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 65.8 tt0 -58.1 130.1 45.05 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.205 -177.995 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 91.3 mt -99.42 124.9 53.02 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.319 -0.4 . . . . 0.0 111.21 -179.392 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 49' ' ' SER . . . . . 0.418 ' HA ' ' HD3' ' A' ' 50' ' ' PRO . 30.1 t -89.2 134.11 33.74 Favored Pre-proline 0 C--N 1.326 -0.418 0 CA-C-N 116.399 -0.364 . . . . 0.0 111.185 174.175 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 50' ' ' PRO . . . . . 0.418 ' HD3' ' HA ' ' A' ' 49' ' ' SER . 63.7 Cg_exo -54.03 136.18 66.22 Favored 'Trans proline' 0 N--CA 1.456 -0.698 0 C-N-CA 121.646 1.564 . . . . 0.0 111.223 178.341 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 97.7 mttt 59.17 57.97 3.26 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.341 -0.39 . . . . 0.0 111.258 179.067 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 15.0 t -95.02 -160.81 0.81 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.171 178.537 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 99.0 m-20 -54.27 -45.55 72.47 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.182 -177.983 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 54' ' ' HIS . . . . . . . . . . . . . 99.5 m-70 -137.36 -5.19 1.83 Allowed 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.276 179.017 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 55' ' ' TYR . . . . . . . . . . . . . 22.0 m-30 -106.42 95.86 6.06 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 121.196 0.522 . . . . 0.0 111.058 -171.777 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 98.1 m -97.38 119.6 36.21 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.093 -179.781 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 96.9 mt -105.68 127.18 60.81 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.208 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.337 177.724 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 87.1 mt-30 -119.95 100.46 7.24 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.3 -0.409 . . . . 0.0 111.258 175.077 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 55.3 ttp180 -101.47 117.76 35.58 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.191 -173.598 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 65.6 t0 -100.56 132.56 45.89 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.322 -0.399 . . . . 0.0 111.201 176.784 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 95.3 mt -65.0 -16.47 63.47 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.265 -177.518 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 33.6 t70 -56.89 -33.26 66.72 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.323 -0.399 . . . . 0.0 111.143 175.496 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 133.54 -10.81 4.95 Favored Glycine 0 CA--C 1.522 0.523 0 N-CA-C 111.107 -0.797 . . . . 0.0 111.107 177.293 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 99.5 m -99.27 130.56 45.57 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.876 0.37 . . . . 0.0 111.282 178.495 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 65' ' ' CYS . . . . . . . . . . . . . 42.7 t -132.4 129.92 39.97 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.113 177.019 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 63.2 m -105.92 148.54 27.51 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.241 -175.333 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 61.5 tp -125.83 120.86 31.64 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.234 173.497 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 82.4 t60 -113.84 123.7 50.44 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.261 179.064 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 95.8 m -98.86 119.91 38.41 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.099 -0.5 . . . . 0.0 111.07 171.837 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 79.0 m -65.1 -44.99 87.01 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.183 -175.676 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -144.65 88.38 1.91 Allowed 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 116.299 -0.409 . . . . 0.0 111.196 -176.106 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 46.6 t -78.9 106.94 11.28 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.205 -177.512 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 51.1 p -109.16 -179.17 3.77 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.157 -179.96 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 97.4 mt -60.76 -28.44 68.72 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.01 -0.541 . . . . 0.0 111.129 -178.379 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 98.8 m-20 -76.74 -17.61 58.97 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.176 176.348 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 66.9 m-20 -95.08 -15.19 23.61 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.157 178.51 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 57.4 t0 -54.72 127.34 27.81 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.23 174.422 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 162.59 -165.07 36.04 Favored Glycine 0 CA--C 1.524 0.627 0 N-CA-C 111.224 -0.75 . . . . 0.0 111.224 179.996 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 74.2 m-80 -104.62 108.59 20.12 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.748 0.309 . . . . 0.0 111.059 -175.029 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 80' ' ' TYR . . . . . . . . . . . . . 37.8 m-85 -84.54 69.94 10.65 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.199 178.144 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 86.8 m -65.25 134.94 54.73 Favored 'General case' 0 C--O 1.234 0.273 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.249 -172.655 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 1.5 tt -107.06 140.04 26.58 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.409 0 CA-C-O 120.879 0.371 . . . . 0.0 111.097 175.66 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 83' ' ' MET . . . . . . . . . . . . . 60.3 ttm -133.14 114.53 13.98 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.289 -178.088 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 84' ' ' ALA . . . . . 0.424 ' HB2' HG21 ' A' ' 31' ' ' VAL . . . -93.16 89.93 6.65 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.073 -179.548 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -93.11 128.35 38.99 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.31 -0.404 . . . . 0.0 111.216 -177.412 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 86' ' ' ASN . . . . . 0.623 ' HB2' ' CD ' ' A' ' 87' ' ' PRO . 22.8 p30 -140.58 179.17 1.31 Allowed Pre-proline 0 C--N 1.328 -0.344 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.196 173.464 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 87' ' ' PRO . . . . . 0.623 ' CD ' ' HB2' ' A' ' 86' ' ' ASN . 71.5 Cg_exo -58.58 -27.76 83.65 Favored 'Trans proline' 0 N--CA 1.456 -0.714 0 C-N-CA 121.858 1.705 . . . . 0.0 111.249 -173.607 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 98.6 mm-40 -99.78 4.97 45.61 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.087 -0.506 . . . . 0.0 111.201 -169.052 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 136.38 -168.92 23.95 Favored Glycine 0 CA--C 1.523 0.538 0 N-CA-C 111.33 -0.708 . . . . 0.0 111.33 178.03 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 39.7 ptt180 -144.85 159.1 43.43 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.74 0.305 . . . . 0.0 111.073 -177.912 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 14.9 p -150.71 135.1 9.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.086 -0.506 . . . . 0.0 111.069 177.451 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 93.3 p -117.96 157.98 25.75 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.389 -170.909 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 93' ' ' CYS . . . . . . . . . . . . . 53.8 t -150.76 135.04 16.97 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.428 174.108 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 85.5 m -72.12 130.03 39.9 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.316 -0.402 . . . . 0.0 111.249 -174.037 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -102.63 55.65 0.67 Allowed Glycine 0 CA--C 1.524 0.616 0 N-CA-C 111.219 -0.752 . . . . 0.0 111.219 177.803 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 79.3 ttt180 -51.7 115.3 1.58 Allowed 'General case' 0 C--N 1.326 -0.429 0 CA-C-O 120.777 0.323 . . . . 0.0 111.21 -178.015 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 58.9 tp -124.79 109.91 13.67 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.323 172.043 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 98' ' ' MET . . . . . . . . . . . . . 98.7 mmm -97.96 141.48 30.87 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.121 -179.06 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 77.8 t -117.1 125.0 73.68 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.262 -177.341 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 64.0 tt0 . . . . . 0 C--N 1.33 -0.261 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.172 -179.863 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.456 -0.165 0 CA-C-O 120.835 0.35 . . . . 0.0 111.096 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 65.9 Cg_exo -55.77 131.32 45.36 Favored 'Trans proline' 0 N--CA 1.458 -0.562 0 C-N-CA 121.552 1.502 . . . . 0.0 111.229 -179.029 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 92.0 t80 -155.12 124.11 6.2 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.311 -0.404 . . . . 0.0 111.058 172.137 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 44.3 m-85 -69.95 91.52 0.67 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.083 -0.508 . . . . 0.0 111.041 -176.311 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 17.1 pt-20 -62.44 -20.04 64.11 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.141 -0.482 . . . . 0.0 111.184 175.182 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 66.7 ttp -137.61 107.22 6.19 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.147 -0.478 . . . . 0.0 111.162 172.514 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 99.5 mttt -92.6 173.74 7.63 Favored 'General case' 0 C--O 1.233 0.2 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.239 -174.606 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 96.5 mt -81.85 153.19 26.52 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.181 -177.421 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 97.1 mttt -106.09 165.03 11.51 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.207 177.853 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 23.2 t-160 -89.18 110.03 20.82 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.141 175.839 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 97.0 m-85 -98.54 145.44 26.8 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.417 -0.356 . . . . 0.0 111.247 -175.506 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 97.5 mttt -113.34 92.86 4.15 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.234 175.192 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 43.0 mm -110.01 140.06 30.62 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.079 -168.1 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 49.3 m-85 -72.68 146.79 46.28 Favored 'General case' 0 CA--C 1.52 -0.185 0 CA-C-N 116.072 -0.513 . . . . 0.0 111.323 179.073 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 87.8 tt0 -55.04 120.68 7.29 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.276 179.045 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 94.14 -11.69 70.23 Favored Glycine 0 CA--C 1.523 0.575 0 N-CA-C 111.311 -0.715 . . . . 0.0 111.311 177.024 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 26.3 ttt -79.96 136.78 54.03 Favored Pre-proline 0 C--N 1.328 -0.339 0 CA-C-O 120.864 0.364 . . . . 0.0 111.286 -177.635 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 62.5 Cg_endo -71.02 148.83 57.74 Favored 'Trans proline' 0 C--N 1.327 -0.553 0 C-N-CA 121.546 1.497 . . . . 0.0 111.2 177.03 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 7.6 p -148.81 134.89 12.19 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.093 176.881 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 87.0 m -113.09 130.52 56.14 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.155 177.658 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 27.2 p90 -146.95 153.24 39.86 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.137 177.972 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 9.5 t -149.21 157.04 43.03 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.249 -167.496 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 21.3 t -140.41 144.14 36.01 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.289 -0.414 . . . . 0.0 111.258 -178.658 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 78.5 ttt180 -125.82 135.92 52.53 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.431 -0.35 . . . . 0.0 111.174 -176.129 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 7.5 p -122.26 128.97 75.65 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.374 0 CA-C-N 116.068 -0.515 . . . . 0.0 111.16 -176.535 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -86.95 64.98 8.77 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.069 -0.514 . . . . 0.0 111.334 178.214 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -105.46 157.06 16.46 Favored Glycine 0 CA--C 1.521 0.441 0 N-CA-C 111.192 -0.763 . . . . 0.0 111.192 -176.861 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 34' ' ' ASN . . . . . 0.451 ' HA ' ' HA ' ' A' ' 35' ' ' PRO . 54.0 t-20 -154.99 108.93 2.3 Favored Pre-proline 0 CA--C 1.51 -0.59 0 CA-C-O 121.225 0.536 . . . . 0.0 111.002 177.028 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 35' ' ' PRO . . . . . 0.451 ' HA ' ' HA ' ' A' ' 34' ' ' ASN . 24.1 Cg_exo -74.9 169.46 74.41 Favored 'Cis proline' 0 N--CA 1.456 -0.695 0 C-N-CA 121.581 -2.258 . . . . 0.0 111.179 9.152 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 36' ' ' LYS . . . . . 0.447 ' HD2' ' N ' ' A' ' 36' ' ' LYS . 4.0 mptp? -59.06 115.75 13.2 Favored Pre-proline 0 C--N 1.33 -0.24 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.068 -178.843 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 37' ' ' PRO . . . . . 0.46 ' HA ' ' HB3' ' A' ' 86' ' ' ASN . 50.2 Cg_exo -60.07 156.56 38.74 Favored 'Trans proline' 0 N--CA 1.458 -0.613 0 C-N-CA 121.646 1.564 . . . . 0.0 111.149 -176.102 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 99.4 mttt -83.54 82.49 8.28 Favored 'General case' 0 C--N 1.332 -0.159 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.352 176.256 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 94.1 mt -55.96 125.04 10.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.081 -173.552 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 73.1 m-85 -111.9 145.04 40.23 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.257 -0.428 . . . . 0.0 111.176 175.038 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 41' ' ' TRP . . . . . . . . . . . . . 68.5 m95 -119.91 133.88 55.42 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.06 -0.518 . . . . 0.0 111.22 175.918 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 35.1 p90 -151.93 142.54 22.73 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.11 -0.496 . . . . 0.0 111.321 172.275 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 14.0 tmtt? -109.39 110.04 21.07 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.232 -174.856 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 95.0 m-20 55.03 32.55 18.41 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.363 -0.38 . . . . 0.0 111.034 -174.894 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 94.97 0.38 63.84 Favored Glycine 0 CA--C 1.523 0.538 0 N-CA-C 111.201 -0.76 . . . . 0.0 111.201 177.099 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 97.1 mttt -95.05 100.21 12.08 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.941 0.4 . . . . 0.0 111.077 -178.887 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 66.4 tt0 -50.88 129.97 24.31 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.302 -178.113 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 93.4 mt -100.02 123.66 52.99 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-N 116.309 -0.405 . . . . 0.0 111.148 -177.648 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 49' ' ' SER . . . . . 0.422 ' HA ' ' HD3' ' A' ' 50' ' ' PRO . 30.0 t -89.88 134.13 32.58 Favored Pre-proline 0 C--N 1.327 -0.374 0 CA-C-N 116.246 -0.433 . . . . 0.0 111.227 175.236 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 50' ' ' PRO . . . . . 0.422 ' HD3' ' HA ' ' A' ' 49' ' ' SER . 52.1 Cg_exo -54.91 139.05 78.85 Favored 'Trans proline' 0 N--CA 1.458 -0.594 0 C-N-CA 121.703 1.602 . . . . 0.0 111.223 177.919 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 98.3 mttt 57.9 54.62 5.95 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.227 177.435 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 14.9 t -94.91 -162.11 0.92 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.214 178.949 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 99.7 m-20 -55.79 -45.09 78.3 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.259 -177.11 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 54' ' ' HIS . . . . . . . . . . . . . 99.7 m-70 -135.97 -5.06 2.16 Favored 'General case' 0 C--O 1.234 0.286 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.253 -179.503 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 55' ' ' TYR . . . . . . . . . . . . . 21.0 m-30 -108.97 95.58 5.74 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 121.089 0.471 . . . . 0.0 111.158 -173.57 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 97.2 m -99.52 123.2 43.57 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.18 179.633 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 94.7 mt -109.97 123.53 65.94 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.228 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.143 -177.715 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 99.0 mm-40 -106.35 138.21 42.94 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.147 170.473 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 94.2 mtt-85 -120.01 103.27 9.17 Favored 'General case' 0 C--O 1.234 0.251 0 CA-C-N 116.292 -0.413 . . . . 0.0 111.248 -172.631 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 68.0 t0 -84.95 120.3 26.35 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.305 -0.407 . . . . 0.0 111.214 171.653 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 95.9 mt -70.62 -7.29 43.09 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.141 -170.293 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 96.1 m-20 -70.29 -16.08 62.97 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.282 -0.417 . . . . 0.0 111.191 176.203 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 120.73 23.41 2.8 Favored Glycine 0 CA--C 1.523 0.592 0 N-CA-C 111.029 -0.828 . . . . 0.0 111.029 177.844 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 73.7 m -125.05 139.28 53.94 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-O 120.873 0.368 . . . . 0.0 111.236 -179.938 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 65' ' ' CYS . . . . . . . . . . . . . 37.4 t -135.69 134.32 39.02 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.066 -0.515 . . . . 0.0 111.196 177.11 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 37.6 t -117.75 132.01 56.52 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.217 -175.961 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 60.6 tp -111.92 118.43 35.46 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.282 176.092 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 76.7 t60 -102.19 126.84 49.27 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.335 175.762 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 97.7 m -100.28 115.13 29.21 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.106 172.216 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 81.9 m -65.53 -40.3 92.76 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.255 -175.752 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -141.33 88.87 2.18 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.056 -0.52 . . . . 0.0 111.311 -177.444 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 23.3 t -76.89 80.87 3.46 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.141 -176.982 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 62.4 p -85.09 177.79 7.78 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.056 -179.832 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 98.8 mt -61.93 -26.76 68.37 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 115.981 -0.554 . . . . 0.0 111.275 -176.177 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 99.8 m-20 -75.92 -19.54 58.72 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.13 176.165 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 68.9 m-20 -91.89 -7.73 48.42 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.352 178.901 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 54.6 t0 -64.26 127.87 33.34 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.247 171.173 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 156.78 -160.52 30.38 Favored Glycine 0 CA--C 1.524 0.607 0 N-CA-C 111.315 -0.714 . . . . 0.0 111.315 -178.042 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 72.5 m-80 -104.74 106.75 17.37 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.708 0.29 . . . . 0.0 111.204 -171.171 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 80' ' ' TYR . . . . . . . . . . . . . 90.5 m-85 -80.48 69.91 7.06 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.293 -0.412 . . . . 0.0 111.245 174.585 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 86.7 m -68.34 130.09 41.87 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.067 -171.943 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 5.3 tt -112.22 139.79 35.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.062 177.601 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 83' ' ' MET . . . . . . . . . . . . . 66.4 ttp -130.11 122.39 28.17 Favored 'General case' 0 C--O 1.233 0.209 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.262 -179.941 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -106.3 92.83 4.3 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.317 -0.401 . . . . 0.0 111.121 179.758 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -103.14 131.05 50.45 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.251 -174.084 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 86' ' ' ASN . . . . . 0.656 ' HB2' ' CD ' ' A' ' 87' ' ' PRO . 24.9 p-10 -141.86 179.99 1.1 Allowed Pre-proline 0 C--N 1.329 -0.301 0 CA-C-N 116.015 -0.539 . . . . 0.0 111.14 172.867 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 87' ' ' PRO . . . . . 0.656 ' CD ' ' HB2' ' A' ' 86' ' ' ASN . 75.4 Cg_exo -58.58 -25.16 73.47 Favored 'Trans proline' 0 N--CA 1.457 -0.675 0 C-N-CA 121.71 1.606 . . . . 0.0 111.244 -175.068 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 97.3 mm-40 -92.67 -5.02 52.29 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.184 -170.31 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 145.36 -161.85 28.19 Favored Glycine 0 CA--C 1.525 0.681 0 N-CA-C 111.26 -0.736 . . . . 0.0 111.26 -179.216 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 41.4 ptt180 -151.02 160.02 44.19 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 120.682 0.277 . . . . 0.0 111.228 178.759 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 11.9 p -147.09 137.6 17.49 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.421 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.104 176.376 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 29.0 t -124.08 139.98 53.41 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.409 -174.729 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 93' ' ' CYS . . . . . . . . . . . . . 40.4 t -135.71 134.79 39.48 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.269 177.216 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 92.9 m -84.28 117.22 23.42 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.244 -176.116 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -90.66 59.31 3.31 Favored Glycine 0 CA--C 1.523 0.539 0 N-CA-C 111.222 -0.751 . . . . 0.0 111.222 -177.571 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -60.27 110.05 1.14 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.869 0.366 . . . . 0.0 111.233 -179.098 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 1.9 mp -119.97 131.05 55.05 Favored 'General case' 0 C--O 1.236 0.346 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.171 174.435 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 98' ' ' MET . . . . . . . . . . . . . 13.8 tmm? -109.41 140.07 43.59 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.372 -0.377 . . . . 0.0 111.185 -174.792 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 95.8 t -116.58 131.91 67.79 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 CA-C-N 116.158 -0.473 . . . . 0.0 111.215 -178.26 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 65.4 tt0 . . . . . 0 C--N 1.33 -0.261 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.261 177.641 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.233 0.23 0 CA-C-O 120.666 0.27 . . . . 0.0 111.263 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 77.5 Cg_exo -53.92 132.15 48.21 Favored 'Trans proline' 0 N--CA 1.457 -0.643 0 C-N-CA 121.657 1.572 . . . . 0.0 111.126 -179.856 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 84.3 t80 -149.48 126.58 11.3 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.218 177.166 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 70.4 m-85 -70.21 87.01 0.58 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.159 179.775 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 16.6 pt-20 -64.05 -20.1 65.69 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.169 172.816 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 67.0 ttp -136.17 113.42 10.64 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.075 -0.512 . . . . 0.0 111.243 167.426 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 99.6 mttt -94.86 166.11 12.13 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.061 -0.518 . . . . 0.0 111.296 -170.661 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 99.5 mt -81.77 156.97 24.68 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.287 -0.415 . . . . 0.0 111.294 177.399 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 97.6 mttt -114.89 176.86 4.87 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.344 -0.389 . . . . 0.0 111.214 175.281 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 19.6 t-160 -74.94 109.19 8.2 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.092 -0.504 . . . . 0.0 111.12 173.275 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 74.1 m-85 -97.29 143.46 28.04 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.411 -0.359 . . . . 0.0 111.198 -173.168 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 99.1 mttt -135.36 140.09 44.75 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.02 -0.536 . . . . 0.0 111.273 177.622 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 10.6 tp -148.54 149.98 14.59 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.087 -177.426 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 65.2 m-85 -76.44 145.37 39.34 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.263 173.607 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 88.7 tt0 -53.73 123.93 13.72 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.062 -178.678 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 101.31 -15.33 57.72 Favored Glycine 0 CA--C 1.524 0.6 0 N-CA-C 111.333 -0.707 . . . . 0.0 111.333 172.205 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 97.8 mmm -85.03 154.63 60.75 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 120.73 0.3 . . . . 0.0 111.334 -175.832 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 71.8 Cg_endo -76.01 154.99 38.22 Favored 'Trans proline' 0 C--N 1.329 -0.484 0 C-N-CA 121.631 1.554 . . . . 0.0 111.134 179.985 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 57.7 t -133.68 125.29 49.4 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.23 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.119 178.391 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 88.7 m -127.34 122.89 34.97 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.11 -179.135 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 52.2 p90 -156.84 165.0 37.45 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.231 172.608 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 12.4 t -145.77 160.51 41.64 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.19 -171.854 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 9.8 t -136.8 147.59 46.68 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.346 -0.388 . . . . 0.0 111.189 179.523 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 43.1 ttm180 -124.32 134.82 53.07 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.856 0.36 . . . . 0.0 111.187 -174.838 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 82.0 t -125.59 129.01 72.8 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.362 0 CA-C-N 116.303 -0.408 . . . . 0.0 111.306 -173.737 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -92.54 64.99 4.33 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.071 -0.513 . . . . 0.0 111.258 178.69 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -105.87 161.17 14.5 Favored Glycine 0 CA--C 1.521 0.409 0 N-CA-C 111.242 -0.743 . . . . 0.0 111.242 -177.336 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 34' ' ' ASN . . . . . 0.436 ' HA ' ' C ' ' A' ' 35' ' ' PRO . 54.1 t-20 -155.0 109.27 2.3 Favored Pre-proline 0 CA--C 1.511 -0.553 0 CA-C-O 121.201 0.524 . . . . 0.0 110.944 178.046 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 35' ' ' PRO . . . . . 0.436 ' C ' ' HA ' ' A' ' 34' ' ' ASN . 24.6 Cg_exo -74.57 164.54 87.81 Favored 'Cis proline' 0 N--CA 1.457 -0.671 0 C-N-CA 121.653 -2.228 . . . . 0.0 111.264 9.183 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 65.0 mmtt -54.65 117.01 12.26 Favored Pre-proline 0 C--N 1.331 -0.231 0 CA-C-N 116.044 -0.525 . . . . 0.0 111.041 -179.775 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 37' ' ' PRO . . . . . 0.465 ' HA ' ' HB3' ' A' ' 86' ' ' ASN . 50.7 Cg_exo -60.55 153.85 58.31 Favored 'Trans proline' 0 N--CA 1.458 -0.576 0 C-N-CA 121.609 1.539 . . . . 0.0 111.236 -178.329 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 98.8 mttt -87.87 70.0 9.5 Favored 'General case' 0 C--N 1.332 -0.166 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.283 175.778 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 94.2 mt -43.49 120.46 0.41 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.094 -172.813 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 74.4 m-85 -109.17 150.74 27.44 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.194 175.118 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 41' ' ' TRP . . . . . . . . . . . . . 92.4 m95 -115.93 142.52 46.68 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.244 172.967 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 41.2 p90 -150.9 145.81 25.88 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.167 170.086 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 12.3 tmtt? -110.01 110.08 20.88 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.215 -172.704 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 89.8 m-20 53.92 33.26 16.9 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.202 -176.504 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 97.0 -1.73 61.21 Favored Glycine 0 CA--C 1.526 0.763 0 N-CA-C 111.136 -0.786 . . . . 0.0 111.136 176.672 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 96.9 mttt -94.92 100.22 12.12 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 120.858 0.361 . . . . 0.0 111.215 -178.161 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 66.4 tt0 -50.99 128.0 20.28 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.28 -178.527 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 95.3 mt -97.25 124.97 50.42 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.364 0 CA-C-N 116.383 -0.371 . . . . 0.0 111.245 -178.949 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 49' ' ' SER . . . . . 0.416 ' HA ' ' HD3' ' A' ' 50' ' ' PRO . 30.5 t -84.73 130.21 53.87 Favored Pre-proline 0 C--N 1.327 -0.402 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.22 173.934 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 50' ' ' PRO . . . . . 0.416 ' HD3' ' HA ' ' A' ' 49' ' ' SER . 58.7 Cg_exo -54.16 137.72 70.64 Favored 'Trans proline' 0 N--CA 1.456 -0.679 0 C-N-CA 121.622 1.548 . . . . 0.0 111.154 178.244 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 97.8 mttt 59.35 57.01 3.53 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.299 178.647 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 15.3 t -95.01 -161.66 0.88 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.252 178.393 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 99.6 m-20 -55.25 -45.19 76.06 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 121.013 0.435 . . . . 0.0 111.171 -178.167 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 54' ' ' HIS . . . . . . . . . . . . . 99.5 m-70 -136.5 -5.24 2.02 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 115.983 -0.553 . . . . 0.0 111.2 -179.856 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 55' ' ' TYR . . . . . . . . . . . . . 22.1 m-30 -107.36 95.2 5.54 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.34 -0.391 . . . . 0.0 111.158 -172.921 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 98.2 m -97.43 125.01 41.83 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.064 -179.811 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 96.8 mt -114.81 132.45 63.98 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.149 179.119 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 69.9 tp60 -128.56 110.06 11.93 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.233 177.019 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 39.6 ttm105 -101.16 100.09 10.59 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.251 -175.368 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 67.0 t0 -71.63 124.04 23.83 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-O 120.894 0.378 . . . . 0.0 111.189 170.74 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 97.5 mt -73.75 -2.68 24.4 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.271 -171.363 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 97.7 m-20 -74.94 -10.21 59.27 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.123 173.751 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 115.71 27.45 3.03 Favored Glycine 0 CA--C 1.522 0.529 0 N-CA-C 111.086 -0.806 . . . . 0.0 111.086 174.158 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 57.0 m -135.08 135.21 41.07 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-O 120.631 0.253 . . . . 0.0 111.281 179.83 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 65' ' ' CYS . . . . . . . . . . . . . 49.5 t -134.1 127.94 33.15 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.118 179.896 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 29.7 t -106.44 142.79 35.53 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.249 -178.14 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 59.8 tp -117.09 123.85 47.79 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.222 173.983 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 80.5 t60 -117.65 122.05 42.52 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.286 179.512 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 96.1 m -99.12 119.9 38.61 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.133 171.753 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 80.1 m -64.71 -45.26 87.32 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.191 -175.628 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -144.94 88.05 1.87 Allowed 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.254 -176.51 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 47.5 t -77.23 108.92 10.68 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.126 -177.118 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 52.6 p -110.46 -178.19 3.43 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.153 179.908 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 97.0 mt -61.94 -27.85 69.13 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.906 -0.588 . . . . 0.0 111.396 -177.991 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 98.9 m-20 -76.83 -17.49 58.97 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.067 175.994 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 68.0 m-20 -95.02 -16.05 23.01 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.217 178.669 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 58.0 t0 -55.04 128.22 32.64 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.314 174.861 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 161.17 -164.05 34.68 Favored Glycine 0 CA--C 1.521 0.44 0 N-CA-C 111.282 -0.727 . . . . 0.0 111.282 -179.713 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 74.4 m-80 -105.05 107.78 18.94 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.866 0.365 . . . . 0.0 111.242 -174.035 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 80' ' ' TYR . . . . . . . . . . . . . 50.8 m-85 -84.82 71.24 10.89 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.237 178.321 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 86.0 m -65.02 133.54 51.89 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.229 -171.321 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 5.8 tt -104.03 141.73 19.07 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.328 -0.396 . . . . 0.0 110.993 177.599 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 83' ' ' MET . . . . . . . . . . . . . 60.0 ttm -134.28 117.02 15.96 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.015 -0.539 . . . . 0.0 111.291 179.145 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -94.55 91.6 6.67 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.9 0.381 . . . . 0.0 111.207 179.448 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -96.87 127.54 42.95 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.25 -175.113 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 86' ' ' ASN . . . . . 0.623 ' HB2' ' CD ' ' A' ' 87' ' ' PRO . 22.8 p-10 -142.75 179.26 1.23 Allowed Pre-proline 0 C--N 1.328 -0.349 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.063 172.572 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 87' ' ' PRO . . . . . 0.623 ' CD ' ' HB2' ' A' ' 86' ' ' ASN . 76.9 Cg_exo -59.04 -26.03 80.07 Favored 'Trans proline' 0 N--CA 1.457 -0.635 0 C-N-CA 121.739 1.626 . . . . 0.0 111.262 -175.031 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 96.8 mm-40 -92.92 -5.02 51.73 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.058 -0.519 . . . . 0.0 111.309 -170.412 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 142.05 -164.0 26.92 Favored Glycine 0 CA--C 1.522 0.473 0 N-CA-C 111.378 -0.689 . . . . 0.0 111.378 -179.853 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 40.2 ptt180 -149.83 160.0 43.91 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.652 0.263 . . . . 0.0 111.27 -179.308 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 14.0 p -150.33 138.97 14.89 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.423 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.191 176.168 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 89.0 p -120.15 153.97 35.44 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.3 -0.409 . . . . 0.0 111.247 -172.685 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 93' ' ' CYS . . . . . . . . . . . . . 50.5 t -151.44 136.65 17.53 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.34 176.637 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 88.9 m -69.34 128.95 38.39 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.311 -0.404 . . . . 0.0 111.351 -174.971 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -101.74 56.15 0.71 Allowed Glycine 0 CA--C 1.524 0.652 0 N-CA-C 111.256 -0.738 . . . . 0.0 111.256 176.832 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 79.3 ttt180 -53.22 115.15 1.74 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.744 0.306 . . . . 0.0 111.287 -176.407 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 60.8 tp -123.81 110.3 14.71 Favored 'General case' 0 C--O 1.235 0.32 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.105 172.428 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 98' ' ' MET . . . . . . . . . . . . . 98.7 mmm -97.98 141.75 30.56 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.15 -179.376 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 89.3 t -116.48 124.81 73.07 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.416 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.191 -176.749 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 51.1 tp60 . . . . . 0 C--N 1.329 -0.305 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.214 175.676 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.523 0.591 0 N-CA-C 111.225 -0.75 . . . . 0.0 111.225 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 76.23 -129.89 10.43 Favored Glycine 0 CA--C 1.524 0.611 0 N-CA-C 111.207 -0.757 . . . . 0.0 111.207 -178.722 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 84.9 p -154.8 179.01 9.5 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-O 120.732 0.301 . . . . 0.0 111.197 -178.803 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 61.9 t30 57.86 51.84 8.65 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.289 -0.414 . . . . 0.0 111.237 -179.323 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -160.35 169.25 23.5 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.03 -0.532 . . . . 0.0 111.149 -176.447 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 85.4 m -131.63 130.04 41.61 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.268 -175.987 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -60.35 151.83 66.84 Favored Pre-proline 0 C--N 1.326 -0.417 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.075 -179.794 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 35.9 Cg_endo -65.28 141.53 69.09 Favored 'Trans proline' 0 N--CA 1.457 -0.668 0 C-N-CA 121.627 1.551 . . . . 0.0 111.211 -179.184 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 90.0 t80 -154.98 124.97 6.63 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.342 -0.39 . . . . 0.0 111.184 -179.1 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 90.7 m-85 -74.86 90.23 2.38 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.195 176.643 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 21.9 pt-20 -70.66 -14.67 62.56 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.053 -0.522 . . . . 0.0 111.208 176.248 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' MET . . . . . 0.41 ' HB3' ' HB3' ' A' ' 30' ' ' ARG . 64.5 ttp -139.36 103.63 4.78 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.28 167.423 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 98.7 mttt -88.58 163.58 15.78 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.223 -172.872 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 96.4 mt -78.74 166.85 22.01 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.267 173.355 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 63.9 pttt -133.51 179.82 5.98 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.335 179.209 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 18.6 t-160 -72.58 108.36 5.58 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.29 -0.414 . . . . 0.0 111.025 177.697 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 76.6 m-85 -97.87 147.55 24.33 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.323 -0.399 . . . . 0.0 111.282 -178.416 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 99.1 mttt -133.98 139.7 46.25 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.268 176.875 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 10.0 tp -148.83 151.85 12.74 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.201 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.071 -177.585 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 64.7 m-85 -78.98 145.99 33.63 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.245 172.955 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 88.5 tt0 -53.97 124.98 17.07 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.2 -178.226 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 102.52 -16.53 54.88 Favored Glycine 0 CA--C 1.524 0.63 0 N-CA-C 111.213 -0.755 . . . . 0.0 111.213 172.252 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 97.9 mmm -84.89 153.54 60.5 Favored Pre-proline 0 C--N 1.33 -0.253 0 CA-C-O 120.894 0.378 . . . . 0.0 111.285 -175.641 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 72.4 Cg_endo -75.68 153.59 38.71 Favored 'Trans proline' 0 C--N 1.328 -0.537 0 C-N-CA 121.595 1.53 . . . . 0.0 111.138 179.111 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 47.2 t -135.02 128.0 49.02 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.198 0 CA-C-N 116.054 -0.521 . . . . 0.0 111.07 178.467 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 84.8 m -120.73 125.04 46.63 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.033 178.823 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 37.0 p90 -149.94 158.75 44.48 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.082 -0.508 . . . . 0.0 111.122 176.043 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 11.4 t -151.97 157.79 42.23 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.154 -172.22 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 24.6 t -142.58 141.96 32.08 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.313 -0.403 . . . . 0.0 111.135 -176.488 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . 0.41 ' HB3' ' HB3' ' A' ' 12' ' ' MET . 57.6 ttt85 -121.88 136.33 54.92 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.33 -0.396 . . . . 0.0 111.2 -173.446 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 28.3 m -119.05 159.97 19.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.291 179.449 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -119.95 32.84 5.86 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.278 177.316 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -76.43 161.2 51.47 Favored Glycine 0 CA--C 1.522 0.471 0 N-CA-C 111.094 -0.802 . . . . 0.0 111.094 -176.438 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 34' ' ' ASN . . . . . 0.44 ' HA ' ' C ' ' A' ' 35' ' ' PRO . 54.1 t-20 -151.3 110.0 3.0 Favored Pre-proline 0 CA--C 1.51 -0.579 0 CA-C-O 121.14 0.495 . . . . 0.0 111.02 179.46 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 35' ' ' PRO . . . . . 0.44 ' C ' ' HA ' ' A' ' 34' ' ' ASN . 24.6 Cg_exo -74.87 164.8 87.45 Favored 'Cis proline' 0 N--CA 1.456 -0.686 0 C-N-CA 121.729 -2.196 . . . . 0.0 111.154 9.555 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 64.4 mmtt -52.91 119.01 14.94 Favored Pre-proline 0 C--N 1.332 -0.187 0 CA-C-N 116.026 -0.534 . . . . 0.0 111.123 179.516 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 37' ' ' PRO . . . . . 0.578 ' HA ' ' HB3' ' A' ' 86' ' ' ASN . 53.6 Cg_exo -57.24 148.07 72.69 Favored 'Trans proline' 0 N--CA 1.458 -0.576 0 C-N-CA 121.676 1.584 . . . . 0.0 111.158 -178.096 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 99.6 mttt -79.98 69.88 6.44 Favored 'General case' 0 C--N 1.332 -0.179 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.403 175.582 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 41.1 mm -42.63 121.68 0.43 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.054 -0.521 . . . . 0.0 111.128 -170.405 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 79.9 m-85 -109.53 141.6 41.78 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.217 174.645 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 41' ' ' TRP . . . . . . . . . . . . . 91.7 m95 -113.19 138.04 50.56 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 121.072 0.463 . . . . 0.0 111.114 175.235 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 35.5 p90 -153.83 146.18 23.93 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.066 -0.515 . . . . 0.0 111.326 172.072 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 12.5 tmtt? -110.28 110.0 20.65 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.207 -174.861 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 95.8 m-20 54.91 32.96 18.95 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.24 -176.245 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 95.2 0.75 63.15 Favored Glycine 0 CA--C 1.525 0.693 0 N-CA-C 111.102 -0.799 . . . . 0.0 111.102 176.869 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 97.1 mttt -95.02 100.58 12.39 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.756 0.313 . . . . 0.0 111.206 -179.182 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 66.4 tt0 -50.86 128.93 22.28 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.317 -0.402 . . . . 0.0 111.179 -177.983 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 95.8 mt -99.6 125.03 53.29 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.178 -178.393 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 49' ' ' SER . . . . . 0.42 ' HA ' ' HD3' ' A' ' 50' ' ' PRO . 30.7 t -86.85 133.27 39.82 Favored Pre-proline 0 C--N 1.326 -0.456 0 CA-C-N 116.31 -0.404 . . . . 0.0 111.24 174.331 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 50' ' ' PRO . . . . . 0.42 ' HD3' ' HA ' ' A' ' 49' ' ' SER . 55.5 Cg_exo -54.8 137.36 74.72 Favored 'Trans proline' 0 N--CA 1.457 -0.65 0 C-N-CA 121.688 1.592 . . . . 0.0 111.244 178.805 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 98.0 mttt 58.5 57.0 4.02 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.238 178.085 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 14.9 t -95.01 -161.6 0.87 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.097 -0.501 . . . . 0.0 111.186 178.813 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 99.5 m-20 -55.03 -45.41 75.18 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.192 -177.798 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 54' ' ' HIS . . . . . . . . . . . . . 99.5 m-70 -136.87 -5.04 1.94 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.355 -179.972 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 55' ' ' TYR . . . . . . . . . . . . . 22.0 m-30 -107.55 97.5 7.23 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.059 -172.772 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 97.4 m -98.49 121.2 40.14 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.227 179.726 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 98.4 mt -106.67 131.31 56.82 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.239 178.455 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 70.8 tp60 -130.05 109.64 11.01 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.292 -0.413 . . . . 0.0 111.142 173.212 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 80.9 mtm180 -102.61 111.26 23.5 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.272 -177.367 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 65.2 t0 -85.43 131.36 34.4 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.294 -0.412 . . . . 0.0 111.19 174.54 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 95.3 mt -65.38 -16.04 63.2 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.315 -177.146 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 24.4 t70 -62.15 -28.48 69.68 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.088 177.382 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 129.8 -0.42 5.79 Favored Glycine 0 CA--C 1.523 0.565 0 N-CA-C 111.125 -0.79 . . . . 0.0 111.125 175.359 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 98.0 m -106.55 122.25 45.93 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.783 0.325 . . . . 0.0 111.259 178.545 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 65' ' ' CYS . . . . . . . . . . . . . 89.1 m -121.39 138.99 54.02 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.077 177.623 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 49.5 m -120.01 146.75 45.57 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.212 -173.566 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 55.5 tp -128.72 120.04 25.73 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.034 -0.53 . . . . 0.0 111.154 173.859 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 83.3 t60 -110.62 128.76 55.82 Favored 'General case' 0 N--CA 1.455 -0.188 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.351 -177.858 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 97.9 m -100.36 116.65 32.83 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.187 171.719 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 80.4 m -64.03 -44.55 92.18 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.328 -175.467 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -143.11 88.02 2.01 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.101 -0.5 . . . . 0.0 111.14 -176.895 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 48.4 t -75.64 108.72 8.67 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.185 -176.486 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 57.9 p -109.74 -177.7 3.34 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.175 178.999 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 96.3 mt -63.01 -25.96 68.63 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.069 -0.514 . . . . 0.0 111.254 -177.522 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 99.8 m-20 -79.05 -17.41 55.28 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.12 175.609 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 67.8 m-20 -94.85 -13.53 25.43 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.309 178.069 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 56.7 t0 -58.21 126.27 26.79 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.247 172.771 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 161.44 -163.87 34.74 Favored Glycine 0 CA--C 1.523 0.558 0 N-CA-C 111.248 -0.741 . . . . 0.0 111.248 -178.374 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 73.2 m-80 -106.58 110.85 23.16 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.852 0.358 . . . . 0.0 111.072 -175.201 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 80' ' ' TYR . . . . . . . . . . . . . 61.2 m-85 -84.4 69.97 10.59 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.255 177.397 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 88.6 m -65.02 134.39 53.76 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.224 -172.782 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 2.7 tt -109.95 139.11 34.61 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.308 -0.406 . . . . 0.0 111.144 177.595 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 83' ' ' MET . . . . . . . . . . . . . 65.2 ttp -121.47 120.02 33.71 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.22 -176.076 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -90.02 71.64 7.43 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.222 177.673 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -83.39 119.74 25.01 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.246 -0.433 . . . . 0.0 111.194 -176.561 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 86' ' ' ASN . . . . . 0.669 ' HB2' ' CD ' ' A' ' 87' ' ' PRO . 27.5 p-10 -145.04 -179.65 0.99 Allowed Pre-proline 0 C--N 1.328 -0.332 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.084 174.458 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 87' ' ' PRO . . . . . 0.669 ' CD ' ' HB2' ' A' ' 86' ' ' ASN . 54.9 Cg_exo -61.45 -18.46 59.56 Favored 'Trans proline' 0 N--CA 1.456 -0.71 0 C-N-CA 121.728 1.619 . . . . 0.0 111.353 -174.14 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 96.0 mm-40 -100.16 9.95 42.01 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.983 -0.553 . . . . 0.0 111.229 -174.594 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 121.79 -168.37 14.54 Favored Glycine 0 CA--C 1.523 0.586 0 N-CA-C 111.283 -0.727 . . . . 0.0 111.283 178.407 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 40.9 ptt180 -144.92 146.98 32.24 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 120.693 0.282 . . . . 0.0 111.178 -177.799 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 52.3 t -135.23 135.75 51.96 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.388 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.199 176.816 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 73.7 m -103.07 141.12 36.37 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.225 -179.571 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 93' ' ' CYS . . . . . . . . . . . . . 45.9 t -136.02 135.06 39.15 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.295 -0.411 . . . . 0.0 111.362 173.643 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 89.0 m -77.41 125.42 29.31 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.302 -0.408 . . . . 0.0 111.22 -170.887 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -100.54 58.55 0.72 Allowed Glycine 0 CA--C 1.523 0.589 0 N-CA-C 111.158 -0.777 . . . . 0.0 111.158 175.921 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 80.6 ttt180 -58.39 124.58 20.01 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 120.665 0.269 . . . . 0.0 111.364 -173.857 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 58.8 tp -132.16 114.19 14.2 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.077 173.056 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 98' ' ' MET . . . . . . . . . . . . . 98.3 mmm -100.01 140.01 34.85 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.206 179.555 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 85.1 t -115.71 124.04 71.73 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.295 -0.411 . . . . 0.0 111.228 -176.075 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 52.5 tp60 -82.53 120.47 25.54 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 121.062 0.458 . . . . 0.0 111.163 175.305 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -60.02 133.99 56.61 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.102 178.886 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 102' ' ' VAL . . . . . . . . . . . . . 74.4 t -118.37 111.52 34.33 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.237 0 CA-C-N 116.071 -0.513 . . . . 0.0 111.17 178.655 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 99.4 m-20 -72.48 -17.81 61.73 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.293 -0.412 . . . . 0.0 111.073 -174.746 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 104' ' ' GLN . . . . . . . . . . . . . 99.8 mm-40 -89.44 -5.1 57.68 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 116.3 -0.409 . . . . 0.0 111.373 -179.684 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 24.4 tpp180 -69.97 109.97 4.8 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.007 -0.542 . . . . 0.0 111.195 179.01 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . -73.49 -16.9 78.86 Favored Glycine 0 CA--C 1.524 0.624 0 N-CA-C 111.279 -0.728 . . . . 0.0 111.279 -177.429 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 99.8 mtt180 -93.54 -0.14 56.41 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.872 0.367 . . . . 0.0 111.207 -179.57 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 41.4 t . . . . . 1 C--O 0.998 -12.132 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.235 -177.661 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.523 0.579 0 N-CA-C 111.186 -0.766 . . . . 0.0 111.186 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 174.93 -115.04 0.53 Allowed Glycine 0 CA--C 1.522 0.508 0 N-CA-C 111.39 -0.684 . . . . 0.0 111.39 -179.914 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 92.6 p -80.66 -19.88 44.27 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-O 120.706 0.289 . . . . 0.0 111.264 179.606 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 62.5 t30 54.99 44.72 27.77 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.242 -178.109 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -155.05 154.95 33.24 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.089 -0.505 . . . . 0.0 111.257 -179.226 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 86.5 m -140.1 126.5 20.14 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.229 -178.201 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -65.22 144.88 99.12 Favored Pre-proline 0 C--N 1.325 -0.479 0 CA-C-N 116.07 -0.514 . . . . 0.0 111.153 179.021 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 75.3 Cg_exo -54.32 129.83 36.65 Favored 'Trans proline' 0 C--N 1.328 -0.536 0 C-N-CA 121.606 1.537 . . . . 0.0 111.137 -179.896 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 92.3 t80 -155.08 126.39 7.27 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.922 0.391 . . . . 0.0 111.181 172.931 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 66.3 m-85 -66.8 87.9 0.14 Allowed 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.224 -179.113 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 17.2 pt-20 -61.28 -24.93 66.76 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.134 -0.484 . . . . 0.0 111.34 176.146 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' MET . . . . . 0.404 ' O ' ' SG ' ' A' ' 29' ' ' CYS . 67.9 ttp -126.22 109.7 12.62 Favored 'General case' 0 C--N 1.332 -0.172 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.147 170.44 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 98.3 mttt -97.9 168.16 10.47 Favored 'General case' 0 C--O 1.233 0.235 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.229 -170.397 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 76.5 mt -88.72 160.17 17.45 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.233 -177.783 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 99.2 mttt -118.42 167.04 11.94 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.249 178.344 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 20.4 t-160 -65.33 111.27 2.95 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.099 174.704 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 71.8 m-85 -97.28 141.63 30.15 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.294 -0.412 . . . . 0.0 111.335 -175.122 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 96.4 mttt -131.01 102.63 6.12 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.315 -0.402 . . . . 0.0 111.18 177.9 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 47.5 mm -120.75 140.37 45.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.067 -172.017 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 66.4 m-85 -71.73 149.21 45.62 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.225 -177.345 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 88.1 tt0 -54.99 122.76 11.6 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.188 -179.837 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 90.6 -5.65 82.35 Favored Glycine 0 CA--C 1.524 0.599 0 N-CA-C 111.194 -0.762 . . . . 0.0 111.194 174.665 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 26.7 ttt -84.54 134.75 41.87 Favored Pre-proline 0 C--N 1.327 -0.388 0 CA-C-O 120.74 0.305 . . . . 0.0 111.248 -177.34 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 74.2 Cg_endo -70.83 149.31 59.84 Favored 'Trans proline' 0 C--N 1.326 -0.626 0 C-N-CA 121.619 1.546 . . . . 0.0 111.237 175.208 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 9.7 p -151.66 135.27 7.96 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.118 179.332 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 91.0 m -119.57 130.11 54.98 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.164 175.317 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 31.2 p90 -150.12 154.56 38.29 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.281 177.585 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 11.6 t -146.97 158.96 44.07 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.309 -0.405 . . . . 0.0 111.233 -165.35 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 29' ' ' CYS . . . . . 0.423 ' HB3' HD13 ' A' ' 82' ' ' ILE . 2.9 t -141.06 148.73 40.65 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.308 178.429 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 44.3 ttm180 -124.42 136.92 54.43 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.334 -0.393 . . . . 0.0 111.169 -171.805 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 91.2 t -116.5 129.55 72.78 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.417 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.175 -176.748 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -86.49 65.36 9.0 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.46 173.967 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -107.16 154.01 16.71 Favored Glycine 0 CA--C 1.521 0.451 0 N-CA-C 111.175 -0.77 . . . . 0.0 111.175 -174.643 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 34' ' ' ASN . . . . . 0.48 ' HA ' ' HA ' ' A' ' 35' ' ' PRO . 54.1 t-20 -158.07 108.15 1.73 Allowed Pre-proline 0 CA--C 1.51 -0.564 0 CA-C-O 121.067 0.461 . . . . 0.0 110.985 176.87 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 35' ' ' PRO . . . . . 0.48 ' HA ' ' HA ' ' A' ' 34' ' ' ASN . 23.1 Cg_exo -74.63 168.07 78.23 Favored 'Cis proline' 0 C--N 1.327 -0.596 0 C-N-CA 121.588 -2.255 . . . . 0.0 111.13 7.77 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . 0.467 ' HD2' ' N ' ' A' ' 36' ' ' LYS . 4.1 mptp? -59.96 117.43 23.4 Favored Pre-proline 0 C--N 1.333 -0.135 0 CA-C-N 115.949 -0.569 . . . . 0.0 111.159 -179.774 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 49.6 Cg_endo -73.63 169.11 23.1 Favored 'Trans proline' 0 N--CA 1.459 -0.53 0 C-N-CA 121.577 1.518 . . . . 0.0 111.204 -173.099 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 99.1 mttt -78.37 85.33 4.5 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.411 178.647 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 39' ' ' ILE . . . . . 0.459 HG12 ' HB2' ' A' ' 84' ' ' ALA . 42.5 mt -82.6 128.27 38.88 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.065 -176.52 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 39.1 p90 -148.51 160.54 42.97 Favored 'General case' 0 C--O 1.233 0.215 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.2 -177.556 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 41' ' ' TRP . . . . . . . . . . . . . 86.3 m95 -102.09 148.3 25.56 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 121.003 0.43 . . . . 0.0 111.09 177.429 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 46.4 p90 -149.84 145.99 26.88 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.002 -0.545 . . . . 0.0 111.223 165.058 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 13.4 tmtt? -110.54 110.04 20.61 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.162 -173.755 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 88.4 m-20 52.3 34.1 14.08 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.306 -0.407 . . . . 0.0 111.155 -177.861 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 98.91 -1.0 57.76 Favored Glycine 0 CA--C 1.527 0.819 0 N-CA-C 111.026 -0.83 . . . . 0.0 111.026 175.878 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 96.9 mttt -100.84 97.42 8.04 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.649 0.261 . . . . 0.0 111.097 -177.607 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 65.9 tt0 -52.92 129.88 31.71 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.202 -178.591 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 88.7 mt -95.03 125.02 47.77 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.237 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.169 -176.79 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 30.3 t -78.07 126.5 83.59 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.099 177.373 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 50.1 Cg_exo -55.19 143.54 74.52 Favored 'Trans proline' 0 N--CA 1.457 -0.662 0 C-N-CA 121.589 1.526 . . . . 0.0 111.241 177.265 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 98.1 mttt 56.41 47.57 18.67 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.301 175.419 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 54.1 p -88.66 -169.82 2.69 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.258 176.474 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 99.3 m-20 -60.09 -39.38 85.91 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.189 -175.783 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 54' ' ' HIS . . . . . . . . . . . . . 100.0 m-70 -133.02 -7.38 3.07 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.07 -0.514 . . . . 0.0 111.282 -171.444 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 55' ' ' TYR . . . . . . . . . . . . . 91.2 m-85 -125.18 105.79 9.41 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 121.114 0.483 . . . . 0.0 111.053 -177.713 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 96.2 m -103.61 124.3 48.55 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.047 -0.524 . . . . 0.0 111.191 178.198 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 93.2 mt -110.94 121.97 64.58 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.244 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.198 -178.706 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 71.7 tp60 -105.03 115.94 31.11 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.203 174.757 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 50.1 mtp180 -104.4 89.57 3.27 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.191 -173.99 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 60' ' ' ASP . . . . . 0.415 ' HB3' ' HB ' ' A' ' 64' ' ' THR . 66.2 t0 -65.23 124.49 22.32 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.323 -0.399 . . . . 0.0 111.166 175.614 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 95.6 mt -69.96 -9.52 55.4 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.154 -173.308 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 97.0 m-20 -69.69 -17.95 63.52 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.361 -0.381 . . . . 0.0 111.104 174.765 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 117.17 28.56 2.37 Favored Glycine 0 CA--C 1.523 0.586 0 N-CA-C 111.087 -0.805 . . . . 0.0 111.087 178.639 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 64' ' ' THR . . . . . 0.415 ' HB ' ' HB3' ' A' ' 60' ' ' ASP . 60.7 m -126.44 137.02 53.36 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-O 120.831 0.348 . . . . 0.0 111.235 179.837 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 65' ' ' CYS . . . . . . . . . . . . . 33.7 t -130.92 126.73 36.87 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.101 -179.201 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 34.2 t -116.85 135.63 53.58 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.229 -176.621 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 60.2 tp -113.16 123.08 49.4 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.103 -0.499 . . . . 0.0 111.112 178.164 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 68.8 t60 -108.93 122.51 47.37 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.277 175.115 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 94.3 m -101.68 124.66 47.69 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.039 173.79 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 85.7 m -69.7 -44.2 70.87 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.006 -0.543 . . . . 0.0 111.178 -176.134 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -144.97 88.93 1.92 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.229 -176.755 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 30.1 t -74.34 80.12 1.86 Allowed 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.965 -178.766 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 66.1 p -83.72 172.29 12.38 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.172 179.331 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 34.2 tp -58.8 -34.89 72.0 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.097 -0.501 . . . . 0.0 111.354 -172.915 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 99.3 m-20 -68.26 -17.95 64.42 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.13 -0.487 . . . . 0.0 111.244 179.458 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 72.6 m-20 -91.64 -3.28 56.53 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.203 -179.82 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 55.3 t0 -63.87 131.3 47.34 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.241 178.662 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 162.2 -161.89 33.83 Favored Glycine 0 CA--C 1.523 0.537 0 N-CA-C 111.241 -0.744 . . . . 0.0 111.241 178.785 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 75.6 m-80 -105.11 105.09 14.98 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 120.848 0.356 . . . . 0.0 111.139 -173.687 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 80' ' ' TYR . . . . . . . . . . . . . 33.5 m-85 -84.2 69.18 10.38 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.132 177.435 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 87.0 m -66.07 132.62 48.96 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.125 -176.535 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 82' ' ' ILE . . . . . 0.423 HD13 ' HB3' ' A' ' 29' ' ' CYS . 13.4 tt -109.92 138.15 38.91 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.372 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.208 176.804 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 83' ' ' MET . . . . . . . . . . . . . 54.7 ttm -132.74 139.81 47.77 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.266 -0.424 . . . . 0.0 111.372 -172.152 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 84' ' ' ALA . . . . . 0.459 ' HB2' HG12 ' A' ' 39' ' ' ILE . . . -119.0 145.98 45.39 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.289 -0.414 . . . . 0.0 111.169 170.702 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -146.94 130.0 16.41 Favored 'General case' 0 C--O 1.234 0.249 0 CA-C-N 116.058 -0.519 . . . . 0.0 111.163 -176.808 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 86' ' ' ASN . . . . . 0.632 ' HB2' ' CD ' ' A' ' 87' ' ' PRO . 37.8 p30 -152.3 177.7 1.82 Allowed Pre-proline 0 C--N 1.328 -0.357 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.13 172.841 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 87' ' ' PRO . . . . . 0.632 ' CD ' ' HB2' ' A' ' 86' ' ' ASN . 75.2 Cg_exo -57.23 -24.98 62.27 Favored 'Trans proline' 0 N--CA 1.456 -0.7 0 C-N-CA 121.8 1.666 . . . . 0.0 111.3 -176.559 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 96.1 mm-40 -89.88 -6.14 56.11 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.023 -0.535 . . . . 0.0 111.225 -171.209 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 144.33 -162.83 27.89 Favored Glycine 0 CA--C 1.521 0.468 0 N-CA-C 111.302 -0.719 . . . . 0.0 111.302 177.547 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 41.3 ptt180 -151.05 162.6 40.54 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.497 0.189 . . . . 0.0 111.278 -179.217 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 12.2 p -157.94 147.76 9.43 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.431 0 CA-C-N 116.345 -0.389 . . . . 0.0 111.062 -179.696 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 99.4 p -135.48 152.35 51.26 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.305 -178.833 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 93' ' ' CYS . . . . . . . . . . . . . 52.9 t -150.07 128.45 12.15 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.204 176.532 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 96.7 m -80.37 118.78 22.31 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.306 -171.433 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -90.67 60.27 3.22 Favored Glycine 0 CA--C 1.524 0.637 0 N-CA-C 111.111 -0.795 . . . . 0.0 111.111 -179.412 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 78.9 ttt180 -49.41 115.1 1.2 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.615 0.245 . . . . 0.0 111.268 -177.224 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 53.9 tp -121.86 105.1 10.05 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.123 175.481 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 98' ' ' MET . . . . . . . . . . . . . 98.7 mmm -95.83 144.95 25.75 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.11 -0.496 . . . . 0.0 111.262 177.415 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 94.4 t -113.26 131.14 65.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.314 -174.612 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 98.8 mm-40 -90.01 108.95 20.03 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.188 174.636 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -59.73 134.76 57.33 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.275 -176.461 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 102' ' ' VAL . . . . . . . . . . . . . 65.3 t -116.75 111.15 33.95 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.292 -179.58 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 97.2 m-20 -85.13 -9.33 58.0 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.078 -177.469 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 104' ' ' GLN . . . . . . . . . . . . . 99.2 mm-40 -85.02 -13.33 50.88 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 116.354 -0.384 . . . . 0.0 111.474 179.583 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 61.0 ttm-85 -75.12 118.62 18.26 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.857 -0.61 . . . . 0.0 111.089 179.605 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . -72.61 -18.51 78.63 Favored Glycine 0 CA--C 1.526 0.77 0 N-CA-C 111.326 -0.71 . . . . 0.0 111.326 -177.619 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 99.8 mtt180 -90.04 -3.94 57.67 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.798 0.332 . . . . 0.0 111.101 179.861 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 42.6 t . . . . . 1 C--O 0.999 -12.088 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.316 -179.801 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.523 0.564 0 N-CA-C 111.22 -0.752 . . . . 0.0 111.22 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 65.05 -125.0 29.34 Favored Glycine 0 CA--C 1.523 0.583 0 N-CA-C 111.341 -0.704 . . . . 0.0 111.341 -179.884 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 47.5 t -137.07 -75.07 0.42 Allowed 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 120.63 0.252 . . . . 0.0 111.08 179.782 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 62.1 t30 55.05 44.91 27.33 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.332 -0.395 . . . . 0.0 111.199 -176.596 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -156.82 155.04 30.84 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.073 -0.512 . . . . 0.0 111.165 -179.001 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 86.1 m -137.57 129.88 29.39 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.235 -0.438 . . . . 0.0 111.168 -178.241 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -61.07 153.79 64.55 Favored Pre-proline 0 C--N 1.326 -0.438 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.063 -179.26 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 36.2 Cg_endo -64.3 146.05 89.44 Favored 'Trans proline' 0 N--CA 1.458 -0.566 0 C-N-CA 121.686 1.59 . . . . 0.0 111.208 179.596 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 87.0 t80 -162.99 139.97 7.58 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.102 -177.259 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 71.8 m-85 -89.91 98.2 11.63 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.218 175.91 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 14.6 pt-20 -69.42 -20.04 63.79 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.013 -0.54 . . . . 0.0 111.298 175.379 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 67.4 ttp -136.34 113.63 10.71 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.192 169.588 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 98.1 mttt -100.39 166.56 10.89 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.276 -169.504 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 89.2 mt -83.45 170.25 14.67 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.236 177.93 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 64.0 pttt -135.02 -179.65 5.75 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.173 175.931 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 18.0 t-160 -73.74 108.91 6.85 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.086 -0.506 . . . . 0.0 111.273 176.278 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 76.9 m-85 -97.32 145.14 26.4 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.845 0.355 . . . . 0.0 111.168 -176.657 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 99.1 mttt -134.59 138.87 44.93 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.112 -0.495 . . . . 0.0 111.274 176.611 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 9.8 tp -148.47 151.59 13.14 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.218 -177.811 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 66.8 m-85 -78.48 146.03 34.65 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.292 -0.413 . . . . 0.0 111.27 172.867 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 87.7 tt0 -53.72 124.61 15.67 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.169 -178.433 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 102.03 -15.78 56.32 Favored Glycine 0 CA--C 1.525 0.683 0 N-CA-C 111.197 -0.761 . . . . 0.0 111.197 171.791 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 98.0 mmm -84.82 153.82 60.93 Favored Pre-proline 0 C--N 1.33 -0.261 0 CA-C-O 120.856 0.36 . . . . 0.0 111.291 -175.672 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 72.6 Cg_endo -75.36 153.08 39.82 Favored 'Trans proline' 0 N--CA 1.458 -0.604 0 C-N-CA 121.643 1.562 . . . . 0.0 111.19 179.56 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 46.2 t -135.22 127.35 47.26 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.039 179.238 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 92.4 m -121.48 126.46 49.3 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.956 178.895 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 31.1 p90 -153.22 158.51 41.82 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 116.09 -0.504 . . . . 0.0 111.088 174.563 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 9.8 t -149.78 159.66 44.18 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.153 -170.524 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 29.9 t -145.95 148.81 33.17 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.211 -178.576 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 78.8 ttt180 -129.09 138.47 51.86 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.333 -0.394 . . . . 0.0 111.12 -172.86 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 28.1 m -115.27 159.63 15.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.088 -0.506 . . . . 0.0 111.224 -176.016 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -145.0 77.96 1.55 Allowed 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.183 178.809 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -124.77 -171.92 13.43 Favored Glycine 0 CA--C 1.521 0.422 0 N-CA-C 111.34 -0.704 . . . . 0.0 111.34 177.295 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 34' ' ' ASN . . . . . 0.498 ' HA ' ' HA ' ' A' ' 35' ' ' PRO . 54.0 t-20 -156.88 106.24 1.94 Allowed Pre-proline 0 CA--C 1.51 -0.579 0 CA-C-O 121.34 0.59 . . . . 0.0 110.964 179.076 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 35' ' ' PRO . . . . . 0.498 ' HA ' ' HA ' ' A' ' 34' ' ' ASN . 27.5 Cg_exo -68.78 157.17 89.46 Favored 'Cis proline' 0 N--CA 1.457 -0.623 0 C-N-CA 121.587 -2.255 . . . . 0.0 111.136 3.892 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 98.6 mttt -58.61 132.03 85.66 Favored Pre-proline 0 C--N 1.331 -0.233 0 CA-C-N 116.032 -0.531 . . . . 0.0 111.081 -179.434 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 37' ' ' PRO . . . . . 0.618 ' HA ' ' HB3' ' A' ' 86' ' ' ASN . 77.2 Cg_exo -56.17 141.06 88.11 Favored 'Trans proline' 0 N--CA 1.459 -0.539 0 C-N-CA 121.527 1.485 . . . . 0.0 111.204 -175.315 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 99.3 mttt -85.13 87.46 7.38 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.263 172.977 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 81.0 mt -53.69 123.96 5.49 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.224 0 CA-C-N 116.134 -0.484 . . . . 0.0 111.232 -172.563 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 80.5 m-85 -116.94 144.9 44.01 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.288 170.971 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 41' ' ' TRP . . . . . . . . . . . . . 94.8 m95 -114.25 140.0 48.94 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 121.033 0.444 . . . . 0.0 111.113 176.887 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 39.6 p90 -152.68 146.09 24.86 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 115.975 -0.557 . . . . 0.0 111.271 169.59 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 13.0 tmtt? -110.08 110.05 20.81 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.243 -174.752 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 93.8 m-20 53.84 33.54 17.3 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.119 -176.124 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 96.22 -0.7 62.17 Favored Glycine 0 CA--C 1.524 0.656 0 N-CA-C 111.205 -0.758 . . . . 0.0 111.205 176.643 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 96.9 mttt -94.85 100.03 11.98 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.9 0.381 . . . . 0.0 111.208 -178.726 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 66.4 tt0 -50.98 129.13 23.08 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.291 -0.413 . . . . 0.0 111.177 -178.111 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 95.6 mt -99.11 124.01 52.11 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.181 -178.132 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 49' ' ' SER . . . . . 0.413 ' HA ' ' HD3' ' A' ' 50' ' ' PRO . 30.5 t -90.0 136.62 28.79 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-N 116.296 -0.411 . . . . 0.0 111.127 174.82 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 50' ' ' PRO . . . . . 0.413 ' HD3' ' HA ' ' A' ' 49' ' ' SER . 53.6 Cg_exo -54.9 136.82 73.94 Favored 'Trans proline' 0 N--CA 1.457 -0.623 0 C-N-CA 121.551 1.501 . . . . 0.0 111.244 178.59 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 97.8 mttt 59.04 57.66 3.45 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.318 -0.401 . . . . 0.0 111.296 177.741 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 13.4 t -94.99 -161.76 0.89 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.136 -0.483 . . . . 0.0 111.152 178.883 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 99.4 m-20 -54.87 -45.72 74.65 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-O 121.046 0.45 . . . . 0.0 111.274 -177.801 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 54' ' ' HIS . . . . . . . . . . . . . 99.0 m-70 -136.73 -5.26 1.97 Allowed 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.199 178.996 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 55' ' ' TYR . . . . . . . . . . . . . 22.0 m-30 -106.07 95.25 5.65 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.077 -173.254 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 97.9 m -98.3 124.8 43.13 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.267 -179.242 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 96.7 mt -110.15 124.75 67.16 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-O 120.921 0.391 . . . . 0.0 111.137 179.975 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 85.1 mt-30 -111.16 136.27 50.47 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.115 173.256 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 94.1 mtt-85 -118.46 105.74 11.98 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.141 -172.127 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 67.8 t0 -84.41 122.25 28.7 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.286 171.32 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 95.1 mt -66.52 -12.29 56.84 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.112 -171.353 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 95.5 m-20 -64.98 -21.6 66.87 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.939 0.4 . . . . 0.0 111.17 177.493 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 123.16 18.93 3.02 Favored Glycine 0 CA--C 1.523 0.547 0 N-CA-C 111.136 -0.785 . . . . 0.0 111.136 -179.855 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 61.4 m -119.55 139.95 51.32 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-O 120.748 0.309 . . . . 0.0 111.315 -179.714 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 65' ' ' CYS . . . . . . . . . . . . . 36.4 t -135.05 134.14 40.07 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.104 176.706 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 32.3 t -114.97 135.78 53.85 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.261 -176.967 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 64.2 tp -114.9 119.66 37.32 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.093 -0.503 . . . . 0.0 111.097 177.952 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 82.5 t60 -111.74 126.05 54.64 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.272 -178.424 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 97.4 m -98.04 115.09 27.51 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.016 -0.538 . . . . 0.0 111.149 171.114 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 82.7 m -61.94 -44.74 96.13 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.29 -175.337 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -143.42 88.35 2.0 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.221 -177.096 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 48.0 t -75.0 107.2 6.91 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.155 -176.074 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 60.4 p -106.67 -178.96 3.8 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.163 -0.472 . . . . 0.0 111.131 178.968 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 96.5 mt -62.65 -25.45 68.13 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.335 -178.469 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 99.4 m-20 -78.27 -19.76 52.99 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.096 175.131 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 68.5 m-20 -92.63 -13.76 29.1 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.191 178.007 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 57.2 t0 -57.97 126.81 29.06 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.158 171.983 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 160.26 -164.47 34.43 Favored Glycine 0 CA--C 1.524 0.64 0 N-CA-C 111.189 -0.764 . . . . 0.0 111.189 -178.679 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 74.1 m-80 -105.81 109.38 21.32 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.91 0.386 . . . . 0.0 111.163 -173.897 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 80' ' ' TYR . . . . . . . . . . . . . 52.8 m-85 -83.77 70.06 10.3 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.208 177.351 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 85.6 m -65.83 135.08 54.38 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.169 -172.549 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 4.1 tt -109.88 139.97 30.79 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.061 177.729 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 83' ' ' MET . . . . . . . . . . . . . 63.5 ttp -119.76 121.16 38.55 Favored 'General case' 0 C--O 1.234 0.256 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.252 -175.738 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -88.82 65.5 7.67 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.319 -0.4 . . . . 0.0 111.085 177.571 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -76.51 124.59 27.82 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.255 -175.469 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 86' ' ' ASN . . . . . 0.618 ' HB3' ' HA ' ' A' ' 37' ' ' PRO . 30.7 p30 -150.73 177.79 1.74 Allowed Pre-proline 0 C--N 1.329 -0.313 0 CA-C-N 116.088 -0.505 . . . . 0.0 111.118 173.076 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 87' ' ' PRO . . . . . 0.615 ' CD ' ' HB2' ' A' ' 86' ' ' ASN . 75.6 Cg_exo -58.29 -24.96 70.39 Favored 'Trans proline' 0 N--CA 1.458 -0.604 0 C-N-CA 121.76 1.64 . . . . 0.0 111.201 -174.909 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 98.7 mm-40 -93.52 -4.95 50.14 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.068 -0.515 . . . . 0.0 111.259 -170.824 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 142.01 -157.73 26.52 Favored Glycine 0 CA--C 1.524 0.625 0 N-CA-C 111.287 -0.725 . . . . 0.0 111.287 179.711 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 40.3 ptt180 -150.81 149.95 30.36 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.75 0.309 . . . . 0.0 111.115 177.673 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 60.2 t -128.81 134.45 64.36 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.341 -0.39 . . . . 0.0 111.146 175.739 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 29.4 t -106.67 131.27 54.0 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.235 -0.438 . . . . 0.0 111.386 -177.854 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 93' ' ' CYS . . . . . . . . . . . . . 52.6 t -132.93 130.73 39.98 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.304 -0.407 . . . . 0.0 111.301 174.773 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 85.3 m -77.46 129.33 35.6 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.324 -171.761 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -100.52 55.39 0.83 Allowed Glycine 0 CA--C 1.524 0.633 0 N-CA-C 111.182 -0.767 . . . . 0.0 111.182 177.044 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 79.9 ttt180 -53.24 116.55 2.47 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.657 0.265 . . . . 0.0 111.327 -176.781 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 58.3 tp -125.18 112.3 16.28 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.305 -0.407 . . . . 0.0 111.155 171.42 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 98' ' ' MET . . . . . . . . . . . . . 98.7 mmm -97.86 140.72 31.8 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.152 179.621 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 84.0 t -116.93 124.01 72.46 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.082 -176.673 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 52.2 tp60 -82.56 121.02 26.26 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.062 -0.517 . . . . 0.0 111.096 175.805 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -60.66 133.92 56.57 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.155 178.944 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 102' ' ' VAL . . . . . . . . . . . . . 83.0 t -117.84 112.95 40.77 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.218 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.157 178.865 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 99.4 m-20 -71.84 -18.96 62.04 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.094 -0.503 . . . . 0.0 111.182 -174.882 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 104' ' ' GLN . . . . . . . . . . . . . 99.8 mm-40 -88.88 -4.93 58.33 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.436 -179.751 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 24.4 tpp180 -69.96 110.06 4.84 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 115.962 -0.563 . . . . 0.0 111.276 179.493 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . -72.12 -14.75 76.46 Favored Glycine 0 CA--C 1.524 0.644 0 N-CA-C 111.38 -0.688 . . . . 0.0 111.38 -176.496 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 99.8 mtt180 -89.51 0.27 57.01 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.795 0.331 . . . . 0.0 111.111 -179.359 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 72.3 m . . . . . 1 C--O 0.999 -12.084 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.24 177.792 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.523 0.54 0 N-CA-C 111.244 -0.742 . . . . 0.0 111.244 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 74.43 -114.0 4.29 Favored Glycine 0 CA--C 1.524 0.609 0 N-CA-C 111.276 -0.73 . . . . 0.0 111.276 179.818 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 41.4 t -158.14 128.86 6.32 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.629 0.252 . . . . 0.0 111.217 179.364 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 62.2 t30 55.09 44.96 27.12 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.322 -0.399 . . . . 0.0 111.087 -177.872 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -154.99 155.05 33.5 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.117 -178.196 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 87.1 m -138.68 129.97 27.15 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.241 -178.771 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -62.84 151.99 83.78 Favored Pre-proline 0 C--N 1.325 -0.478 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.207 -179.189 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 34.7 Cg_endo -63.59 144.83 90.8 Favored 'Trans proline' 0 C--N 1.328 -0.551 0 C-N-CA 121.664 1.576 . . . . 0.0 111.166 179.335 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 86.6 t80 -161.42 139.99 9.67 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-O 121.086 0.47 . . . . 0.0 111.121 -176.477 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 83.3 m-85 -91.49 99.83 12.7 Favored 'General case' 0 C--N 1.332 -0.175 0 CA-C-N 116.041 -0.527 . . . . 0.0 111.111 175.971 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 21.7 pt-20 -77.42 -13.83 59.84 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.269 175.979 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' MET . . . . . 0.414 ' HB3' ' HB3' ' A' ' 30' ' ' ARG . 66.1 ttp -141.23 108.45 5.5 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.309 167.285 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 99.6 mttt -93.9 173.85 7.46 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.277 -172.662 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 92.3 mt -89.7 155.5 19.17 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.222 177.584 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 97.7 mttt -115.0 179.14 4.03 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.234 176.314 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 22.8 t-160 -73.93 111.82 9.46 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.183 173.401 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 94.5 m-85 -97.41 144.14 27.45 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.38 -0.373 . . . . 0.0 111.23 -175.713 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 98.4 mttt -125.63 115.42 20.11 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.285 178.691 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 3.8 mp -125.14 138.82 53.05 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.073 -0.512 . . . . 0.0 111.182 -170.639 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 8.8 m-30 -69.65 138.7 53.24 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.081 172.917 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 41.6 tt0 -55.12 119.01 4.84 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.074 -0.512 . . . . 0.0 111.116 179.067 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 95.08 -5.37 68.43 Favored Glycine 0 CA--C 1.523 0.579 0 N-CA-C 111.239 -0.744 . . . . 0.0 111.239 175.662 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 56.9 ttp -89.78 138.38 27.99 Favored Pre-proline 0 C--N 1.328 -0.343 0 CA-C-O 120.678 0.275 . . . . 0.0 111.335 -176.695 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 57.8 Cg_endo -66.48 150.42 84.18 Favored 'Trans proline' 0 C--N 1.327 -0.593 0 C-N-CA 121.588 1.525 . . . . 0.0 111.287 174.466 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 8.4 p -149.6 134.79 10.6 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.089 179.106 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 89.0 m -114.58 130.12 56.74 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.153 177.504 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 25.0 p90 -146.71 154.01 40.93 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.093 -0.503 . . . . 0.0 111.172 177.831 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 11.4 t -149.4 158.9 44.58 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.256 -166.538 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 36.6 t -147.39 148.9 31.79 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.326 -0.397 . . . . 0.0 111.265 -179.468 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . 0.414 ' HB3' ' HB3' ' A' ' 12' ' ' MET . 76.3 ttt180 -127.81 137.55 52.42 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 120.886 0.375 . . . . 0.0 111.143 -170.978 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 28.1 m -120.37 162.34 19.05 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.241 -176.136 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -145.01 80.96 1.63 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.339 177.729 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -120.97 -175.91 15.31 Favored Glycine 0 CA--C 1.521 0.457 0 N-CA-C 111.262 -0.735 . . . . 0.0 111.262 176.25 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 34' ' ' ASN . . . . . 0.496 ' HA ' ' HA ' ' A' ' 35' ' ' PRO . 54.1 t-20 -156.48 106.19 2.01 Favored Pre-proline 0 CA--C 1.511 -0.556 0 CA-C-O 121.142 0.496 . . . . 0.0 110.987 177.56 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 35' ' ' PRO . . . . . 0.496 ' HA ' ' HA ' ' A' ' 34' ' ' ASN . 27.7 Cg_exo -68.77 157.52 89.03 Favored 'Cis proline' 0 N--CA 1.458 -0.589 0 C-N-CA 121.5 -2.292 . . . . 0.0 111.255 4.158 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . 0.413 ' HA ' ' HD3' ' A' ' 37' ' ' PRO . 98.3 mttt -63.97 135.01 96.12 Favored Pre-proline 0 C--N 1.331 -0.215 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.047 -177.168 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 37' ' ' PRO . . . . . 0.564 ' HA ' ' HB3' ' A' ' 86' ' ' ASN . 74.1 Cg_exo -56.43 143.64 86.37 Favored 'Trans proline' 0 N--CA 1.458 -0.581 0 C-N-CA 121.704 1.603 . . . . 0.0 111.226 -176.145 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 99.2 mttt -86.91 75.02 9.63 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.378 171.73 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 75.8 mt -40.97 124.99 0.46 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.084 -172.179 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 83.4 m-85 -114.08 144.85 42.45 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.238 170.956 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 41' ' ' TRP . . . . . . . . . . . . . 92.1 m95 -114.36 136.87 52.51 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.093 176.631 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 37.0 p90 -154.11 147.09 24.5 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.199 171.493 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 12.7 tmtt? -109.98 110.03 20.82 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.101 -175.812 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 87.4 m-20 52.65 32.93 12.69 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.19 -176.327 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 98.18 -0.91 58.89 Favored Glycine 0 CA--C 1.523 0.586 0 N-CA-C 111.185 -0.766 . . . . 0.0 111.185 176.603 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 97.0 mttt -95.05 99.98 11.89 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.804 0.335 . . . . 0.0 111.062 -178.447 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 66.0 tt0 -54.57 131.33 42.73 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.338 -0.392 . . . . 0.0 111.202 -176.603 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 92.8 mt -110.8 118.19 56.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.352 -0.386 . . . . 0.0 111.177 177.757 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 88.7 p -89.84 154.23 47.71 Favored Pre-proline 0 C--N 1.328 -0.355 0 CA-C-N 116.336 -0.393 . . . . 0.0 111.273 178.063 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 46.4 Cg_exo -59.43 143.04 99.82 Favored 'Trans proline' 0 N--CA 1.459 -0.547 0 C-N-CA 121.622 1.548 . . . . 0.0 111.231 178.676 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 97.9 mttt 55.01 46.57 23.99 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.324 174.975 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 51.9 p -80.02 -170.16 2.34 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.309 -0.405 . . . . 0.0 111.224 177.317 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 98.7 m-20 -66.67 -33.27 75.28 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.13 -176.756 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 54' ' ' HIS . . . . . . . . . . . . . 98.7 m-70 -129.98 -6.85 4.44 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.008 -0.542 . . . . 0.0 111.33 -171.396 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 55' ' ' TYR . . . . . . . . . . . . . 82.3 m-85 -131.75 149.96 52.31 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.099 -176.61 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 84.8 m -134.88 130.73 36.4 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.112 175.272 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 92.2 mt -113.63 125.76 70.97 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.4 0 CA-C-N 116.285 -0.416 . . . . 0.0 111.01 -178.208 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 98.1 mm-40 -110.04 142.06 42.0 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.21 172.728 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 94.8 mtt-85 -121.21 102.42 8.29 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.179 -173.419 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 60' ' ' ASP . . . . . 0.401 ' HB3' ' HB ' ' A' ' 64' ' ' THR . 68.1 t0 -78.76 122.63 26.27 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.191 171.738 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 95.2 mt -67.06 -12.21 59.29 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.189 -171.592 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 95.5 m-20 -65.03 -21.56 66.86 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.291 -0.413 . . . . 0.0 111.061 176.864 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 122.46 20.77 2.87 Favored Glycine 0 CA--C 1.524 0.648 0 N-CA-C 111.066 -0.814 . . . . 0.0 111.066 -179.557 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 64' ' ' THR . . . . . 0.401 ' HB ' ' HB3' ' A' ' 60' ' ' ASP . 59.4 m -120.1 140.03 51.68 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 120.709 0.29 . . . . 0.0 111.247 -179.588 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 65' ' ' CYS . . . . . . . . . . . . . 28.8 t -134.57 134.97 41.92 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.067 177.548 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 41.0 t -118.79 129.63 55.35 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.279 -0.419 . . . . 0.0 111.106 -174.291 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 60.0 tp -107.72 121.6 45.04 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.085 -0.507 . . . . 0.0 111.136 176.609 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 74.6 t60 -110.0 129.99 55.6 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.245 179.654 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 87.0 m -102.7 126.66 49.89 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.171 173.488 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 88.9 m -69.9 -45.0 68.54 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.235 -176.148 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -144.95 90.19 2.03 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.289 -0.414 . . . . 0.0 111.178 -177.833 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 34.8 t -80.03 92.67 5.63 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.14 -176.649 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 67.5 p -90.73 177.54 6.3 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.103 178.472 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 86.6 mt -60.32 -30.24 69.37 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.103 -0.499 . . . . 0.0 111.324 179.278 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 99.0 m-20 -72.31 -17.5 61.85 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.083 -0.508 . . . . 0.0 111.217 176.672 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 68.9 m-20 -96.85 -0.18 48.25 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.288 -0.415 . . . . 0.0 111.197 178.148 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 59.1 t0 -69.01 131.46 45.09 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.356 176.397 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 160.77 -163.13 33.99 Favored Glycine 0 CA--C 1.523 0.561 0 N-CA-C 111.244 -0.742 . . . . 0.0 111.244 -179.565 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 75.3 m-20 -104.03 106.49 17.01 Favored 'General case' 0 C--O 1.234 0.285 0 CA-C-O 120.873 0.368 . . . . 0.0 111.148 -174.549 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 80' ' ' TYR . . . . . . . . . . . . . 44.9 m-85 -81.31 69.96 8.05 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.299 177.23 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 91.1 m -64.98 134.91 54.94 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.251 -171.002 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 82' ' ' ILE . . . . . 0.434 HG23 ' HB3' ' A' ' 93' ' ' CYS . 3.2 tt -109.93 140.02 30.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.118 176.808 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 83' ' ' MET . . . . . . . . . . . . . 64.7 ttp -120.0 119.96 34.92 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.222 -175.048 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -86.46 77.17 9.49 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-O 120.987 0.422 . . . . 0.0 111.182 173.867 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -88.6 121.93 31.5 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.238 -176.276 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 86' ' ' ASN . . . . . 0.599 ' HB2' ' CD ' ' A' ' 87' ' ' PRO . 30.3 p30 -146.89 177.42 1.77 Allowed Pre-proline 0 C--N 1.328 -0.335 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.13 173.116 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 87' ' ' PRO . . . . . 0.599 ' CD ' ' HB2' ' A' ' 86' ' ' ASN . 77.8 Cg_exo -58.21 -24.9 69.47 Favored 'Trans proline' 0 N--CA 1.455 -0.758 0 C-N-CA 121.709 1.606 . . . . 0.0 111.297 -175.586 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 98.0 mm-40 -90.8 -5.08 56.1 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.057 -171.71 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 139.91 -170.97 24.06 Favored Glycine 0 CA--C 1.522 0.517 0 N-CA-C 111.353 -0.699 . . . . 0.0 111.353 175.81 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 98.7 mtt180 -129.99 144.99 51.63 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 120.573 0.225 . . . . 0.0 111.221 -178.867 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 56.3 t -134.26 128.3 52.01 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.224 176.569 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 30.8 t -101.17 139.26 37.1 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.37 -178.678 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 93' ' ' CYS . . . . . 0.434 ' HB3' HG23 ' A' ' 82' ' ' ILE . 52.4 t -135.93 129.12 31.73 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.314 172.991 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 85.1 m -72.02 128.81 36.88 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.153 -172.599 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -102.17 58.69 0.6 Allowed Glycine 0 CA--C 1.525 0.663 0 N-CA-C 111.124 -0.79 . . . . 0.0 111.124 176.262 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 80.1 ttt180 -54.26 110.12 0.57 Allowed 'General case' 0 C--N 1.327 -0.413 0 CA-C-O 120.714 0.292 . . . . 0.0 111.191 -176.538 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 3.1 mp -114.29 106.51 14.42 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.318 170.818 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 98' ' ' MET . . . . . . . . . . . . . 63.9 ttp -96.82 130.88 44.02 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.077 -0.51 . . . . 0.0 111.054 179.131 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 77.6 t -113.21 138.28 43.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.313 -176.107 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 65.7 tt0 -125.54 133.65 52.25 Favored 'General case' 0 N--CA 1.454 -0.236 0 CA-C-O 121.033 0.444 . . . . 0.0 111.326 -179.061 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -69.6 131.12 44.15 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.191 174.362 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 102' ' ' VAL . . . . . . . . . . . . . 91.1 t -130.44 122.08 52.38 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.254 -175.945 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 99.3 m-20 -67.37 -25.45 65.98 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.09 -0.505 . . . . 0.0 111.088 -173.998 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 104' ' ' GLN . . . . . . . . . . . . . 99.8 mm-40 -85.43 -4.95 59.32 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.306 -179.856 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 29.8 tpt180 -94.02 119.93 33.58 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.045 -0.525 . . . . 0.0 111.22 178.168 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . -67.68 -26.08 73.85 Favored Glycine 0 CA--C 1.525 0.701 0 N-CA-C 111.424 -0.67 . . . . 0.0 111.424 -173.625 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 99.6 mtt180 -92.27 -0.31 57.41 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 120.678 0.275 . . . . 0.0 111.199 -177.961 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 35.1 t . . . . . 1 C--O 0.999 -12.09 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.218 179.809 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.523 0.531 0 N-CA-C 111.239 -0.744 . . . . 0.0 111.239 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 84.06 -152.6 28.52 Favored Glycine 0 CA--C 1.522 0.472 0 N-CA-C 111.409 -0.676 . . . . 0.0 111.409 -172.87 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 48.4 t -138.91 -75.04 0.38 Allowed 'General case' 0 C--N 1.327 -0.408 0 CA-C-O 120.72 0.295 . . . . 0.0 111.222 175.792 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 95.9 m-20 52.48 29.41 7.02 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.029 -176.561 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -174.97 173.53 2.66 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.102 -173.639 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 95.1 m -72.08 125.75 28.05 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.013 -0.54 . . . . 0.0 111.221 174.225 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -65.04 145.0 99.18 Favored Pre-proline 0 C--N 1.327 -0.383 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.265 -173.652 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 51.6 Cg_endo -67.21 120.81 7.89 Favored 'Trans proline' 0 N--CA 1.458 -0.602 0 C-N-CA 121.617 1.544 . . . . 0.0 111.206 178.302 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 91.7 t80 -162.13 137.68 7.39 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.102 179.61 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 65.6 m-85 -80.65 114.13 19.33 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.156 -179.862 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 22.9 pt-20 -78.87 -14.72 59.08 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.034 171.255 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 67.5 ttp -137.09 115.99 12.3 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.083 167.879 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 97.1 mttt -102.34 164.9 11.42 Favored 'General case' 0 C--N 1.332 -0.155 0 CA-C-N 116.03 -0.532 . . . . 0.0 111.147 -171.417 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 96.1 mt -80.95 150.14 29.08 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.248 -179.95 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 97.5 mttt -115.06 -179.06 3.52 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.241 179.228 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 22.1 t-160 -75.09 113.18 12.12 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.275 173.905 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 63.1 m-85 -105.83 148.3 27.7 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.411 -0.359 . . . . 0.0 111.33 -175.947 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 99.2 mttt -134.34 139.74 45.87 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.197 177.696 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 10.9 tp -149.85 149.92 14.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.189 -178.813 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 56.0 m-85 -77.93 146.33 35.6 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.277 -0.419 . . . . 0.0 111.292 178.194 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 39.8 tt0 -55.08 120.63 7.25 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.11 -0.496 . . . . 0.0 111.062 -177.0 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 98.79 -14.51 61.67 Favored Glycine 0 CA--C 1.523 0.578 0 N-CA-C 111.113 -0.795 . . . . 0.0 111.113 173.09 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 98.0 mmm -85.22 153.25 59.34 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 120.852 0.358 . . . . 0.0 111.266 -176.825 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 86.4 Cg_endo -75.52 152.74 38.76 Favored 'Trans proline' 0 N--CA 1.459 -0.546 0 C-N-CA 121.764 1.643 . . . . 0.0 111.179 177.883 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 9.1 p -152.42 134.96 6.45 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.134 176.395 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 88.2 m -120.27 135.41 55.01 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.212 -178.949 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 23.7 p90 -151.5 152.27 32.76 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 116.337 -0.392 . . . . 0.0 111.198 174.921 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 9.5 t -146.95 157.49 43.65 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.087 -0.506 . . . . 0.0 111.228 -164.688 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 1.8 t -143.28 153.11 42.44 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.242 -179.203 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 54.2 ttt85 -133.28 130.63 39.2 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.318 -0.401 . . . . 0.0 111.138 -169.526 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 85.2 t -108.46 134.88 49.01 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.101 -0.5 . . . . 0.0 111.234 -176.144 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -93.79 64.98 3.54 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.215 173.916 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -107.6 163.02 13.1 Favored Glycine 0 CA--C 1.521 0.452 0 N-CA-C 111.369 -0.692 . . . . 0.0 111.369 -178.781 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 34' ' ' ASN . . . . . 0.45 ' HA ' ' HA ' ' A' ' 35' ' ' PRO . 60.1 t-20 -168.25 101.71 0.55 Allowed Pre-proline 0 CA--C 1.51 -0.566 0 CA-C-O 121.093 0.473 . . . . 0.0 110.979 177.17 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 35' ' ' PRO . . . . . 0.45 ' HA ' ' HA ' ' A' ' 34' ' ' ASN . 58.6 Cg_endo -71.94 169.84 68.91 Favored 'Cis proline' 0 N--CA 1.457 -0.649 0 C-N-CA 121.36 -2.35 . . . . 0.0 111.403 1.404 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . 0.459 ' HA ' ' HD3' ' A' ' 37' ' ' PRO . 72.3 mmtt -67.93 135.1 91.93 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.156 -179.848 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 37' ' ' PRO . . . . . 0.459 ' HD3' ' HA ' ' A' ' 36' ' ' LYS . 31.9 Cg_exo -64.47 177.9 1.92 Allowed 'Trans proline' 0 N--CA 1.459 -0.516 0 C-N-CA 121.544 1.496 . . . . 0.0 111.238 177.947 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 98.8 mttt -84.72 80.01 9.41 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.459 174.724 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 60.1 mt -77.77 132.92 31.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.038 -171.924 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 37.9 p90 -149.43 164.88 33.75 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.306 178.946 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 41' ' ' TRP . . . . . . . . . . . . . 74.8 m95 -109.11 151.59 26.21 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 121.083 0.468 . . . . 0.0 111.123 178.973 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 38.9 p90 -152.88 145.75 24.44 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.059 -0.519 . . . . 0.0 111.235 166.323 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 13.3 tmtt? -110.04 109.93 20.67 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.049 -0.523 . . . . 0.0 111.265 -175.642 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 89.8 m-20 53.0 33.37 14.62 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.11 -176.294 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 98.98 -3.32 58.51 Favored Glycine 0 CA--C 1.524 0.64 0 N-CA-C 111.152 -0.779 . . . . 0.0 111.152 176.296 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 97.0 mttt -95.35 99.9 11.76 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-O 120.697 0.284 . . . . 0.0 111.131 -177.591 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 66.0 tt0 -51.94 130.04 28.45 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.381 -0.372 . . . . 0.0 111.214 -177.683 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 97.9 mt -98.36 124.95 51.76 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.148 -176.911 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 49' ' ' SER . . . . . 0.426 ' HA ' ' HD3' ' A' ' 50' ' ' PRO . 30.5 t -85.49 132.1 45.8 Favored Pre-proline 0 C--N 1.328 -0.342 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.239 174.127 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 50' ' ' PRO . . . . . 0.426 ' HD3' ' HA ' ' A' ' 49' ' ' SER . 57.0 Cg_exo -54.5 137.41 72.69 Favored 'Trans proline' 0 N--CA 1.458 -0.592 0 C-N-CA 121.731 1.62 . . . . 0.0 111.164 178.366 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 97.6 mttt 59.69 58.09 2.98 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.302 178.108 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 13.1 t -94.96 -160.86 0.81 Allowed 'General case' 0 C--O 1.234 0.265 0 CA-C-N 116.06 -0.518 . . . . 0.0 111.166 178.63 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 99.6 m-20 -55.08 -45.33 75.39 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.346 -0.388 . . . . 0.0 111.175 -178.055 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 54' ' ' HIS . . . . . . . . . . . . . 99.5 m-70 -136.32 -6.5 2.03 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.09 -0.505 . . . . 0.0 111.351 178.645 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 55' ' ' TYR . . . . . . . . . . . . . 21.9 m-30 -103.03 92.62 4.62 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.269 -173.397 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 97.3 m -97.71 120.3 37.85 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.123 -0.489 . . . . 0.0 111.155 -179.297 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 96.8 mt -105.79 123.44 60.28 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.137 -179.067 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 64.8 tt0 -104.97 119.1 38.18 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.146 173.857 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 62.7 ttm-85 -102.81 90.26 3.74 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.185 -175.167 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 67.0 t0 -71.29 119.93 16.13 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 120.928 0.395 . . . . 0.0 111.181 172.904 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 95.6 mt -68.82 -10.83 59.01 Favored 'General case' 0 C--O 1.236 0.347 0 CA-C-N 116.051 -0.522 . . . . 0.0 111.233 -171.456 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 17.9 t70 -67.73 -19.84 65.18 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.382 -0.372 . . . . 0.0 111.188 176.039 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 123.67 17.21 3.2 Favored Glycine 0 CA--C 1.524 0.613 0 N-CA-C 111.023 -0.831 . . . . 0.0 111.023 176.398 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 95.6 m -114.93 126.12 54.42 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-O 120.802 0.335 . . . . 0.0 111.253 -179.087 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 65' ' ' CYS . . . . . . . . . . . . . 76.7 m -115.77 124.92 51.98 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.125 176.228 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 34.7 t -115.38 132.66 56.55 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.079 -0.51 . . . . 0.0 111.169 -177.047 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 68.4 tp -112.43 119.87 39.71 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.081 -0.508 . . . . 0.0 111.139 177.056 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 63.5 t60 -108.25 125.11 51.29 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.364 -0.38 . . . . 0.0 111.294 176.788 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 92.2 m -101.08 115.59 30.84 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.054 172.513 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 83.6 m -64.99 -43.45 92.54 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.257 -175.201 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -142.12 87.61 2.04 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.051 -0.522 . . . . 0.0 111.045 -176.874 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 46.6 t -80.08 105.78 11.61 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.186 -177.686 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 47.7 p -105.9 -179.86 4.06 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.221 -179.903 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 96.4 mt -60.81 -28.24 68.64 Favored 'General case' 0 C--N 1.333 -0.143 0 CA-C-N 116.101 -0.5 . . . . 0.0 111.273 -178.559 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 98.7 m-20 -76.76 -17.9 58.78 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.052 176.063 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 67.4 m-20 -94.82 -16.16 23.17 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.27 178.192 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 57.7 t0 -54.88 128.8 34.85 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.305 -0.407 . . . . 0.0 111.204 174.412 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 160.77 -163.26 34.05 Favored Glycine 0 CA--C 1.523 0.55 0 N-CA-C 111.212 -0.755 . . . . 0.0 111.212 -179.462 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 74.6 m-80 -105.56 108.05 19.35 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.921 0.391 . . . . 0.0 111.209 -174.481 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 80' ' ' TYR . . . . . . . . . . . . . 54.7 m-85 -84.94 69.99 10.85 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.35 177.809 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 87.0 m -68.89 134.61 49.85 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.019 -172.842 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 12.7 tt -109.98 136.92 44.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.196 176.373 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 83' ' ' MET . . . . . . . . . . . . . 59.2 ttm -127.71 128.34 45.25 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.289 -0.414 . . . . 0.0 111.327 -178.143 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -98.69 65.05 1.53 Allowed 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.319 -0.4 . . . . 0.0 111.12 173.858 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -75.22 143.14 43.28 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.269 -174.431 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 86' ' ' ASN . . . . . 0.587 ' HB2' ' CD ' ' A' ' 87' ' ' PRO . 37.5 p30 -155.5 174.72 3.66 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-N 116.293 -0.412 . . . . 0.0 111.101 171.45 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 87' ' ' PRO . . . . . 0.587 ' CD ' ' HB2' ' A' ' 86' ' ' ASN . 68.8 Cg_exo -59.79 -24.63 76.54 Favored 'Trans proline' 0 N--CA 1.456 -0.685 0 C-N-CA 121.7 1.6 . . . . 0.0 111.328 -174.682 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 88.3 mm-40 -97.07 -1.72 44.74 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.285 -171.087 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 144.47 -175.45 24.21 Favored Glycine 0 CA--C 1.524 0.624 0 N-CA-C 111.252 -0.739 . . . . 0.0 111.252 -178.201 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 41.0 ptt180 -148.51 159.97 43.54 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.593 0.235 . . . . 0.0 111.201 -177.014 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 9.3 p -147.35 139.93 19.02 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.525 0 CA-C-N 116.288 -0.415 . . . . 0.0 111.295 173.78 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 36.8 t -130.08 137.46 50.21 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.334 -0.394 . . . . 0.0 111.323 -169.205 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 93' ' ' CYS . . . . . . . . . . . . . 96.5 m -130.05 139.2 51.02 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.277 -0.42 . . . . 0.0 111.341 171.827 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 94.6 m -87.45 118.51 26.95 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.229 -171.566 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -88.85 59.88 3.92 Favored Glycine 0 CA--C 1.523 0.571 0 N-CA-C 111.249 -0.74 . . . . 0.0 111.249 179.99 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 79.2 ttt180 -53.43 113.94 1.33 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.71 0.29 . . . . 0.0 111.304 -179.887 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 65.5 tp -123.4 109.22 13.6 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.242 174.615 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 98' ' ' MET . . . . . . . . . . . . . 99.2 mmm -95.67 140.82 29.94 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.158 178.137 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 85.9 t -115.63 128.99 72.68 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.221 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.166 -176.348 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 99.4 mm-40 -89.92 119.46 30.31 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.218 178.177 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -60.91 136.29 58.04 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.204 -177.695 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 102' ' ' VAL . . . . . . . . . . . . . 89.4 t -118.57 114.13 44.0 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.214 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.159 179.719 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 99.5 m-20 -70.42 -22.36 62.73 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.176 -175.323 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 104' ' ' GLN . . . . . . . . . . . . . 99.8 mm-40 -85.06 -6.62 59.31 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.285 -0.416 . . . . 0.0 111.388 -179.711 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 24.2 tpp180 -73.05 113.83 10.53 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 115.99 -0.55 . . . . 0.0 111.305 178.888 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . -66.17 -24.72 72.04 Favored Glycine 0 CA--C 1.524 0.609 0 N-CA-C 111.278 -0.729 . . . . 0.0 111.278 -176.024 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 99.9 mtt180 -104.88 18.72 21.82 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.747 0.308 . . . . 0.0 111.083 -179.595 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 38.4 t . . . . . 1 C--O 0.999 -12.105 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.324 -179.144 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.523 0.533 0 N-CA-C 111.191 -0.764 . . . . 0.0 111.191 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 85.2 -170.33 44.87 Favored Glycine 0 CA--C 1.524 0.624 0 N-CA-C 111.222 -0.751 . . . . 0.0 111.222 179.978 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 47.6 t -142.58 128.8 19.85 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 120.717 0.294 . . . . 0.0 111.295 179.008 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 96.3 m-20 64.95 31.12 11.58 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.352 -0.386 . . . . 0.0 111.142 -176.939 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -168.5 162.59 12.26 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.104 -178.115 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 97.0 m -101.55 124.78 47.78 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.09 -0.505 . . . . 0.0 111.378 178.367 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -56.26 135.91 75.31 Favored Pre-proline 0 C--N 1.326 -0.432 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.147 179.39 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 54.6 Cg_endo -71.43 148.07 53.69 Favored 'Trans proline' 0 N--CA 1.457 -0.623 0 C-N-CA 121.784 1.656 . . . . 0.0 111.119 -177.172 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 55.1 p90 -153.32 155.01 35.69 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.305 -0.407 . . . . 0.0 111.262 174.085 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 90.3 m-85 -83.56 94.18 8.01 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.282 -0.417 . . . . 0.0 111.046 -172.458 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 87.8 tt0 -57.02 -37.11 71.24 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.3 169.885 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 62.7 ttp -130.78 122.75 27.74 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.052 -0.522 . . . . 0.0 111.219 173.241 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 99.0 mttt -102.11 164.95 11.42 Favored 'General case' 0 C--O 1.233 0.208 0 CA-C-N 116.097 -0.501 . . . . 0.0 111.243 -173.363 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 95.9 mt -84.11 154.97 22.85 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.315 -0.402 . . . . 0.0 111.174 178.649 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 98.0 mttt -114.98 169.96 8.7 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.299 176.205 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 19.2 t-160 -67.02 111.08 3.64 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.154 174.139 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 60.9 m-85 -100.88 146.31 27.5 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.38 -0.373 . . . . 0.0 111.298 -175.081 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 99.0 mttt -135.74 139.66 43.76 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.275 176.727 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 9.7 tp -147.96 152.09 12.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.022 -178.336 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 67.2 m-85 -79.93 145.33 32.68 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.069 -0.514 . . . . 0.0 111.306 172.66 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 88.5 tt0 -53.43 124.6 15.28 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.001 -178.604 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 104.1 -17.05 49.14 Favored Glycine 0 CA--C 1.524 0.598 0 N-CA-C 111.076 -0.81 . . . . 0.0 111.076 171.78 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 98.1 mmm -84.97 153.7 60.35 Favored Pre-proline 0 C--N 1.328 -0.342 0 CA-C-O 120.874 0.369 . . . . 0.0 111.179 -175.359 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 71.7 Cg_endo -75.06 153.53 41.56 Favored 'Trans proline' 0 C--N 1.328 -0.517 0 C-N-CA 121.617 1.545 . . . . 0.0 111.241 178.408 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 46.5 t -135.03 127.05 47.63 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.198 179.518 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 85.8 m -122.26 125.32 45.78 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.028 -0.533 . . . . 0.0 111.107 179.767 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 37.8 p90 -153.72 160.16 42.22 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.05 174.2 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 9.3 t -149.62 155.58 40.49 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.177 -172.371 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 11.2 t -141.09 148.2 39.77 Favored 'General case' 0 C--O 1.235 0.318 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.197 -178.619 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 60.6 ttt85 -121.87 121.77 37.91 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.478 -0.328 . . . . 0.0 111.188 -172.875 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 97.2 t -110.66 119.34 59.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.316 176.624 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -92.8 64.94 4.12 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.226 -177.776 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -92.74 175.25 36.88 Favored Glycine 0 CA--C 1.521 0.418 0 N-CA-C 111.3 -0.72 . . . . 0.0 111.3 176.058 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 34' ' ' ASN . . . . . 0.48 ' HA ' ' HA ' ' A' ' 35' ' ' PRO . 54.2 t-20 -158.88 106.19 1.59 Allowed Pre-proline 0 CA--C 1.511 -0.546 0 CA-C-O 121.329 0.585 . . . . 0.0 110.924 176.706 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 35' ' ' PRO . . . . . 0.48 ' HA ' ' HA ' ' A' ' 34' ' ' ASN . 60.1 Cg_endo -73.01 157.77 98.82 Favored 'Cis proline' 0 N--CA 1.458 -0.574 0 C-N-CA 121.371 -2.345 . . . . 0.0 111.246 2.046 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 3.8 mptp? -60.08 112.77 5.91 Favored Pre-proline 0 C--N 1.331 -0.208 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.117 176.966 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 39.8 Cg_exo -59.8 154.6 48.62 Favored 'Trans proline' 0 N--CA 1.458 -0.604 0 C-N-CA 121.625 1.55 . . . . 0.0 111.198 178.966 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 88.6 tttt -70.33 79.17 0.54 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.261 175.014 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 87.4 mt -41.94 123.79 0.49 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.225 -176.412 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 85.5 m-85 -106.26 148.25 28.19 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.296 -0.411 . . . . 0.0 111.224 178.582 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 41' ' ' TRP . . . . . . . . . . . . . 90.4 m95 -119.98 141.87 49.29 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.184 173.03 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 40.2 p90 -152.58 146.12 24.95 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.075 -0.511 . . . . 0.0 111.406 172.084 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 12.3 tmtt? -110.04 110.06 20.84 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.271 -175.028 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 94.6 m-20 53.81 33.62 17.37 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.075 -176.17 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 95.83 -0.07 62.53 Favored Glycine 0 CA--C 1.525 0.676 0 N-CA-C 111.034 -0.827 . . . . 0.0 111.034 176.533 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 97.0 mttt -94.92 100.66 12.48 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.811 0.339 . . . . 0.0 111.155 -178.942 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 66.4 tt0 -51.11 129.47 24.18 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 116.393 -0.367 . . . . 0.0 111.202 -177.491 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 95.0 mt -99.97 124.99 53.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.305 -0.407 . . . . 0.0 111.266 -179.317 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 49' ' ' SER . . . . . 0.422 ' HA ' ' HD3' ' A' ' 50' ' ' PRO . 30.6 t -87.92 133.97 36.29 Favored Pre-proline 0 C--N 1.327 -0.407 0 CA-C-N 116.328 -0.396 . . . . 0.0 111.262 174.864 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 50' ' ' PRO . . . . . 0.422 ' HD3' ' HA ' ' A' ' 49' ' ' SER . 53.6 Cg_exo -54.83 137.77 75.73 Favored 'Trans proline' 0 N--CA 1.456 -0.678 0 C-N-CA 121.71 1.607 . . . . 0.0 111.264 178.109 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 98.0 mttt 58.21 56.98 4.2 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.252 178.232 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 14.8 t -94.95 -161.6 0.87 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.291 178.681 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 99.6 m-20 -55.0 -45.67 75.08 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.348 -177.899 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 54' ' ' HIS . . . . . . . . . . . . . 99.5 m-70 -136.41 -5.21 2.05 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.879 -0.6 . . . . 0.0 111.304 179.368 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 55' ' ' TYR . . . . . . . . . . . . . 22.2 m-30 -107.19 96.63 6.55 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.081 -172.286 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 97.7 m -99.02 124.49 44.04 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.162 -179.582 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 98.5 mt -110.54 124.39 67.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.277 -0.419 . . . . 0.0 111.259 179.586 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 97.0 mm-40 -115.04 105.12 12.59 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.289 -0.414 . . . . 0.0 111.147 174.247 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 39.3 ttm105 -102.0 100.03 10.26 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.287 -0.415 . . . . 0.0 111.153 -173.765 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 65.6 t0 -78.1 131.32 37.22 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.229 -0.442 . . . . 0.0 111.125 173.52 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 95.2 mt -67.53 -14.19 62.72 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.232 -174.347 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 19.0 t70 -63.93 -27.32 69.06 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.286 -0.415 . . . . 0.0 111.2 177.482 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 132.71 -10.8 5.2 Favored Glycine 0 CA--C 1.523 0.557 0 N-CA-C 111.164 -0.774 . . . . 0.0 111.164 175.982 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 96.9 m -94.58 128.37 41.15 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 120.829 0.347 . . . . 0.0 111.293 178.379 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 65' ' ' CYS . . . . . . . . . . . . . 46.9 t -131.41 129.14 40.88 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.152 176.488 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 29.0 t -105.36 143.18 33.88 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.215 -176.451 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 61.1 tp -120.74 117.78 28.35 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.256 173.642 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 83.0 t60 -110.45 127.66 55.23 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.353 -178.619 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 95.2 m -100.37 117.14 33.95 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.022 171.885 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 81.7 m -63.72 -44.03 94.78 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.21 -176.061 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -144.08 88.22 1.95 Allowed 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.288 -0.415 . . . . 0.0 111.057 -176.871 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 47.0 t -78.12 106.37 9.96 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.097 -177.493 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 46.5 p -102.72 176.59 5.11 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 120.973 0.416 . . . . 0.0 111.021 179.304 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 37.5 tp -56.12 -35.69 67.38 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 116.037 -0.529 . . . . 0.0 111.278 -178.625 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 99.2 m-20 -72.38 -17.25 61.84 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.053 -0.521 . . . . 0.0 111.233 179.764 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 68.8 m-20 -89.93 -5.79 56.39 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.285 178.121 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 54.9 t0 -62.94 127.02 29.32 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.249 176.42 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 162.22 -164.03 35.27 Favored Glycine 0 CA--C 1.523 0.58 0 N-CA-C 111.157 -0.777 . . . . 0.0 111.157 -179.529 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 73.3 m-80 -105.82 109.57 21.58 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.869 0.366 . . . . 0.0 111.143 -173.803 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 80' ' ' TYR . . . . . . . . . . . . . 48.9 m-85 -84.56 70.07 10.68 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.292 178.016 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 88.7 m -65.94 134.19 52.46 Favored 'General case' 0 C--O 1.234 0.275 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.207 -171.504 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 2.8 tt -103.49 142.11 17.93 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.295 -0.411 . . . . 0.0 111.115 173.564 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 83' ' ' MET . . . . . . . . . . . . . 65.9 ttp -142.67 124.64 15.23 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.256 -177.64 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -93.37 64.95 3.76 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.199 178.095 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -73.09 134.66 44.61 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.21 -175.532 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 86' ' ' ASN . . . . . 0.557 ' HB2' ' HD2' ' A' ' 87' ' ' PRO . 5.4 p30 -154.95 173.55 4.72 Favored Pre-proline 0 C--N 1.327 -0.407 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.228 176.001 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 87' ' ' PRO . . . . . 0.557 ' HD2' ' HB2' ' A' ' 86' ' ' ASN . 71.3 Cg_exo -57.79 -30.71 90.19 Favored 'Trans proline' 0 N--CA 1.457 -0.633 0 C-N-CA 121.85 1.7 . . . . 0.0 111.136 -174.396 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 95.3 mm-40 -95.27 2.22 54.76 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.128 -170.209 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 142.03 -174.71 23.07 Favored Glycine 0 CA--C 1.521 0.41 0 N-CA-C 111.405 -0.678 . . . . 0.0 111.405 177.103 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 41.4 ptt180 -149.23 156.04 41.52 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 120.565 0.222 . . . . 0.0 111.16 -178.414 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 9.5 p -151.8 139.55 13.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.215 174.121 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 94.7 p -129.3 158.69 38.38 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.315 -0.402 . . . . 0.0 111.364 -167.51 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 93' ' ' CYS . . . . . . . . . . . . . 52.1 t -149.99 135.06 17.91 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.186 176.588 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 88.8 m -70.71 130.06 40.76 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.211 -172.523 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -103.16 55.5 0.65 Allowed Glycine 0 CA--C 1.523 0.547 0 N-CA-C 111.279 -0.729 . . . . 0.0 111.279 177.087 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 80.0 ttt180 -52.8 115.56 1.88 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.797 0.332 . . . . 0.0 111.285 -176.414 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 57.5 tp -124.62 110.28 14.22 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.161 171.401 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 98' ' ' MET . . . . . . . . . . . . . 98.8 mmm -96.27 141.33 29.74 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.151 179.329 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 57.3 t -118.61 125.04 74.07 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.262 -176.756 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 55.1 tp60 -82.68 118.59 23.45 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.227 173.798 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -62.53 134.63 56.66 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.311 -0.404 . . . . 0.0 111.181 178.738 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 102' ' ' VAL . . . . . . . . . . . . . 78.1 t -116.52 113.68 43.76 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.183 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.176 -179.211 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 99.4 m-20 -72.15 -18.53 61.87 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.083 -0.508 . . . . 0.0 111.17 -175.065 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 104' ' ' GLN . . . . . . . . . . . . . 99.8 mm-40 -89.01 -4.97 58.25 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.302 -0.408 . . . . 0.0 111.45 179.817 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 24.3 tpp180 -70.0 109.96 4.81 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.86 -0.609 . . . . 0.0 111.15 179.509 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . -72.57 -14.59 77.59 Favored Glycine 0 CA--C 1.525 0.683 0 N-CA-C 111.273 -0.731 . . . . 0.0 111.273 -176.412 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 99.9 mtt180 -89.51 0.53 56.82 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.812 0.339 . . . . 0.0 111.01 -179.392 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 72.8 m . . . . . 1 C--O 0.999 -12.125 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.28 177.72 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.523 0.558 0 N-CA-C 111.165 -0.774 . . . . 0.0 111.165 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 64.99 -125.04 29.56 Favored Glycine 0 CA--C 1.523 0.575 0 N-CA-C 111.265 -0.734 . . . . 0.0 111.265 179.908 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 40.4 t -179.5 74.94 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 120.746 0.308 . . . . 0.0 111.182 -178.062 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 62.3 t30 54.96 45.07 27.22 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.315 -0.402 . . . . 0.0 111.212 -179.144 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -155.01 154.97 33.34 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.075 -0.511 . . . . 0.0 111.174 -177.844 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 85.0 m -134.97 130.2 35.41 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.31 -177.72 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -62.27 151.85 80.69 Favored Pre-proline 0 C--N 1.328 -0.367 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.166 -179.828 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 35.9 Cg_endo -64.48 145.63 88.02 Favored 'Trans proline' 0 N--CA 1.457 -0.624 0 C-N-CA 121.785 1.656 . . . . 0.0 111.15 179.873 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 86.8 t80 -161.42 139.95 9.65 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 121.004 0.43 . . . . 0.0 111.067 -176.895 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 90.3 m-85 -90.53 99.75 12.72 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.078 -0.51 . . . . 0.0 111.088 176.953 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 21.6 pt-20 -78.43 -14.94 59.15 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.049 -0.523 . . . . 0.0 111.199 175.989 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 63.0 ttp -140.32 107.37 5.45 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.15 168.141 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 99.4 mttt -93.0 167.97 11.45 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.033 -0.531 . . . . 0.0 111.247 -172.356 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 85.7 mt -81.86 157.59 24.34 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.344 177.184 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 97.3 mttt -114.97 179.76 3.86 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.295 -0.411 . . . . 0.0 111.313 177.144 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 22.9 t-160 -82.55 110.14 17.38 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.264 -0.425 . . . . 0.0 111.133 172.997 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 17' ' ' TYR . . . . . 0.415 ' HB2' ' HG ' ' A' ' 97' ' ' LEU . 92.1 m-85 -98.18 143.58 28.54 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.388 -0.369 . . . . 0.0 111.297 -173.221 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 88.3 tttt -115.48 120.09 38.36 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.298 175.271 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 4.1 mp -126.25 139.29 52.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.101 -173.575 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 20' ' ' PHE . . . . . 0.428 ' HB3' HG22 ' A' ' 102' ' ' VAL . 12.6 m-30 -73.74 140.97 46.32 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.28 173.641 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 88.0 tt0 -56.62 117.48 3.93 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.246 179.514 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 96.45 -8.12 66.43 Favored Glycine 0 CA--C 1.524 0.618 0 N-CA-C 111.321 -0.711 . . . . 0.0 111.321 177.375 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 28.6 ttt -88.81 132.19 39.18 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 120.764 0.316 . . . . 0.0 111.375 -178.21 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 50.0 Cg_endo -66.15 151.02 84.68 Favored 'Trans proline' 0 C--N 1.326 -0.617 0 C-N-CA 121.73 1.62 . . . . 0.0 111.071 177.215 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 8.1 p -145.87 135.02 17.25 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.215 0 CA-C-N 116.092 -0.503 . . . . 0.0 111.085 -179.511 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 92.0 m -114.82 129.86 56.77 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.171 176.838 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 28.2 p90 -145.36 153.45 41.24 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.193 177.861 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 12.4 t -149.6 159.41 44.35 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.274 -167.711 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 48.2 t -147.59 147.11 29.71 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.132 -179.046 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 58.0 ttt85 -123.41 135.32 54.06 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.122 -172.446 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 31.7 m -116.41 163.98 13.14 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.219 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.117 -179.476 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -144.05 76.82 1.52 Allowed 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.307 177.762 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -117.74 -176.7 17.26 Favored Glycine 0 CA--C 1.521 0.437 0 N-CA-C 111.234 -0.747 . . . . 0.0 111.234 176.986 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 34' ' ' ASN . . . . . 0.469 ' HA ' ' HA ' ' A' ' 35' ' ' PRO . 54.2 t-20 -155.46 106.06 2.2 Favored Pre-proline 0 CA--C 1.51 -0.572 0 CA-C-O 121.256 0.55 . . . . 0.0 110.979 178.786 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 35' ' ' PRO . . . . . 0.469 ' HA ' ' HA ' ' A' ' 34' ' ' ASN . 30.0 Cg_exo -71.71 157.68 96.6 Favored 'Cis proline' 0 N--CA 1.456 -0.73 0 C-N-CA 121.564 -2.265 . . . . 0.0 111.318 7.541 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . 0.424 ' HA ' ' HD3' ' A' ' 37' ' ' PRO . 99.0 mttt -58.56 127.8 82.37 Favored Pre-proline 0 C--N 1.332 -0.19 0 CA-C-N 116.11 -0.496 . . . . 0.0 111.145 -178.536 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 37' ' ' PRO . . . . . 0.551 ' HA ' ' HB3' ' A' ' 86' ' ' ASN . 74.0 Cg_exo -56.68 144.98 84.44 Favored 'Trans proline' 0 N--CA 1.458 -0.574 0 C-N-CA 121.636 1.557 . . . . 0.0 111.242 -177.184 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 98.8 mttt -89.04 75.53 7.94 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.37 174.559 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 79.0 mt -42.25 121.09 0.37 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 116.049 -0.523 . . . . 0.0 111.147 -170.693 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 75.5 m-85 -110.87 150.52 29.06 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.248 173.125 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 41' ' ' TRP . . . . . . . . . . . . . 91.1 m95 -117.7 140.33 49.82 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.288 -0.415 . . . . 0.0 111.164 178.448 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 44.1 p90 -153.37 146.53 24.67 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.318 168.557 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 13.5 tmtt? -110.0 109.85 20.58 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.081 -0.509 . . . . 0.0 111.198 -172.979 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 89.3 m-20 53.27 34.39 17.62 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.292 -0.413 . . . . 0.0 111.08 -176.789 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 96.52 -0.37 61.39 Favored Glycine 0 CA--C 1.525 0.671 0 N-CA-C 111.086 -0.805 . . . . 0.0 111.086 176.321 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 96.7 mttt -95.3 100.06 11.9 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.87 0.366 . . . . 0.0 111.099 -178.492 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 66.4 tt0 -51.46 128.77 23.68 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.13 -178.146 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 96.9 mt -100.35 124.59 53.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.133 -178.974 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 49' ' ' SER . . . . . 0.425 ' HA ' ' HD3' ' A' ' 50' ' ' PRO . 30.2 t -88.0 134.69 34.62 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-N 116.309 -0.405 . . . . 0.0 111.292 174.893 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 50' ' ' PRO . . . . . 0.425 ' HD3' ' HA ' ' A' ' 49' ' ' SER . 53.8 Cg_exo -54.59 138.14 74.58 Favored 'Trans proline' 0 N--CA 1.457 -0.648 0 C-N-CA 121.643 1.562 . . . . 0.0 111.336 178.446 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 98.0 mttt 58.46 56.91 4.09 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.295 177.857 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 14.5 t -94.93 -162.08 0.92 Allowed 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.275 178.847 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 99.5 m-20 -55.48 -45.96 76.93 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.342 -177.879 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 54' ' ' HIS . . . . . . . . . . . . . 99.7 m-70 -136.21 -4.93 2.11 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.038 -0.528 . . . . 0.0 111.334 179.86 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 55' ' ' TYR . . . . . . . . . . . . . 22.0 m-30 -108.57 96.88 6.64 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 121.168 0.509 . . . . 0.0 111.124 -173.445 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 97.1 m -100.07 120.58 40.07 Favored 'General case' 0 C--O 1.233 0.195 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.231 -179.181 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 98.1 mt -105.75 124.98 61.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.232 179.352 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 71.7 tp60 -116.94 107.83 15.05 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.185 172.884 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 42.3 ttm105 -101.28 100.05 10.51 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.162 -175.984 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 66.9 t0 -77.53 128.51 34.3 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.149 173.901 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 95.0 mt -66.97 -13.66 62.08 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.23 -174.615 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 24.3 t70 -60.79 -29.53 69.51 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.185 176.874 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 132.98 -0.45 4.45 Favored Glycine 0 CA--C 1.525 0.695 0 N-CA-C 110.967 -0.853 . . . . 0.0 110.967 176.456 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 97.6 m -107.34 134.81 49.85 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-O 120.83 0.348 . . . . 0.0 111.241 178.092 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 65' ' ' CYS . . . . . . . . . . . . . 35.5 t -133.77 135.05 43.65 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.989 175.387 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 29.3 t -115.79 139.06 50.54 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.181 -175.296 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 53.9 tp -115.9 115.7 26.68 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.063 173.754 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 75.4 t60 -100.89 130.03 46.83 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.245 178.34 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 100.0 m -103.48 115.91 31.41 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.106 171.659 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 84.1 m -69.29 -39.93 78.04 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.241 -175.236 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -137.05 81.21 1.86 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.102 -177.425 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 47.3 t -76.4 107.56 8.75 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.123 -0.489 . . . . 0.0 111.21 179.874 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 54.6 p -116.26 -176.84 3.04 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.213 -179.946 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 95.9 mt -64.2 -24.77 67.79 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.448 -177.967 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 98.7 m-20 -78.18 -17.82 56.3 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.067 174.741 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 63.6 m-20 -95.17 -16.12 22.8 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.292 178.362 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 54.9 t0 -54.85 128.59 33.8 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.039 -0.528 . . . . 0.0 111.303 173.009 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 157.43 -163.4 32.49 Favored Glycine 0 CA--C 1.524 0.616 0 N-CA-C 111.214 -0.755 . . . . 0.0 111.214 -177.095 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 75.0 m-20 -105.27 106.75 17.38 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.816 0.341 . . . . 0.0 111.126 -174.011 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 80' ' ' TYR . . . . . . . . . . . . . 67.4 m-85 -79.68 69.11 5.92 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.283 175.58 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 91.0 m -63.53 132.76 52.31 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.266 -0.425 . . . . 0.0 111.203 -170.62 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 82' ' ' ILE . . . . . 0.439 HG23 ' HB3' ' A' ' 93' ' ' CYS . 3.5 tt -110.09 139.32 33.9 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-N 116.296 -0.411 . . . . 0.0 111.16 -178.923 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 83' ' ' MET . . . . . . . . . . . . . 63.6 tpp -119.96 120.06 35.27 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.19 -175.112 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -86.92 70.21 10.31 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.335 -0.393 . . . . 0.0 111.161 175.1 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -82.79 122.25 27.96 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.235 -0.438 . . . . 0.0 111.33 -175.429 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 86' ' ' ASN . . . . . 0.624 ' HB2' ' CD ' ' A' ' 87' ' ' PRO . 27.1 p-10 -145.09 178.73 1.34 Allowed Pre-proline 0 C--N 1.327 -0.371 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.156 172.845 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 87' ' ' PRO . . . . . 0.624 ' CD ' ' HB2' ' A' ' 86' ' ' ASN . 77.8 Cg_exo -58.99 -25.14 76.5 Favored 'Trans proline' 0 N--CA 1.456 -0.707 0 C-N-CA 121.795 1.664 . . . . 0.0 111.241 -175.014 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 97.0 mm-40 -93.05 -3.09 54.9 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.187 -171.168 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 139.76 -165.76 25.79 Favored Glycine 0 CA--C 1.523 0.587 0 N-CA-C 111.311 -0.716 . . . . 0.0 111.311 -179.458 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 40.8 ptt180 -148.2 148.76 30.89 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.809 0.337 . . . . 0.0 111.107 179.523 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 61.2 t -132.26 133.52 60.2 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.23 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.155 178.319 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 31.4 t -99.71 137.65 37.88 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.287 -179.582 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 93' ' ' CYS . . . . . 0.439 ' HB3' HG23 ' A' ' 82' ' ' ILE . 47.8 t -136.05 133.59 37.56 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.282 172.919 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 86.0 m -71.43 128.89 37.33 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.19 -173.246 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -100.97 59.92 0.64 Allowed Glycine 0 CA--C 1.524 0.622 0 N-CA-C 111.113 -0.795 . . . . 0.0 111.113 175.367 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 80.9 ttt180 -61.3 111.27 1.68 Allowed 'General case' 0 C--N 1.327 -0.389 0 CA-C-O 120.713 0.292 . . . . 0.0 111.313 -172.041 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 97' ' ' LEU . . . . . 0.415 ' HG ' ' HB2' ' A' ' 17' ' ' TYR . 3.4 mp -116.65 119.89 36.91 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.161 173.349 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 98' ' ' MET . . . . . . . . . . . . . 65.9 ttp -107.96 130.23 55.06 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.299 -179.432 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 96.7 t -111.28 125.0 68.57 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.366 0 CA-C-O 121.027 0.442 . . . . 0.0 111.298 -177.299 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 95.2 mm-40 -119.73 173.09 7.24 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.324 -179.918 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -65.05 147.58 53.22 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.204 179.227 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 102' ' ' VAL . . . . . 0.428 HG22 ' HB3' ' A' ' 20' ' ' PHE . 34.2 t -69.36 103.43 0.85 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.286 -178.371 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 99.5 m-20 -65.33 -25.08 67.45 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.145 -177.251 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 104' ' ' GLN . . . . . . . . . . . . . 88.2 mt-30 -75.92 -19.39 58.84 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.299 -0.409 . . . . 0.0 111.387 178.775 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 77.3 ttt180 -80.03 115.09 19.41 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 115.987 -0.552 . . . . 0.0 111.259 -177.854 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . -70.51 -17.55 74.71 Favored Glycine 0 CA--C 1.523 0.557 0 N-CA-C 111.254 -0.739 . . . . 0.0 111.254 -177.528 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 99.9 mtt180 -90.78 -2.62 57.78 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.768 0.318 . . . . 0.0 111.147 -179.898 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 41.8 t . . . . . 1 C--O 0.999 -12.124 0 CA-C-N 116.329 -0.396 . . . . 0.0 111.313 179.801 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.524 0.594 0 N-CA-C 111.212 -0.755 . . . . 0.0 111.212 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . 0.726 ' O ' ' CB ' ' A' ' 3' ' ' SER . . . 65.06 -125.02 29.35 Favored Glycine 0 CA--C 1.523 0.585 0 N-CA-C 111.383 -0.687 . . . . 0.0 111.383 -179.89 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . 0.726 ' CB ' ' O ' ' A' ' 2' ' ' GLY . 45.8 p 132.3 -5.01 0.0 OUTLIER 'General case' 0 C--O 1.236 0.391 0 CA-C-O 120.688 0.28 . . . . 0.0 111.198 -167.172 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 62.3 t30 55.39 45.01 26.23 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.406 -0.361 . . . . 0.0 111.118 -178.756 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -155.1 155.02 33.3 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.177 -178.431 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 87.6 m -139.42 127.88 22.92 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.364 -178.593 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -65.05 145.31 99.12 Favored Pre-proline 0 C--N 1.328 -0.368 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.21 -179.41 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 77.8 Cg_exo -53.83 130.0 36.95 Favored 'Trans proline' 0 N--CA 1.458 -0.611 0 C-N-CA 121.738 1.625 . . . . 0.0 111.2 179.918 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 91.6 t80 -155.74 123.8 5.76 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.995 0.426 . . . . 0.0 111.049 174.71 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 53.7 m-85 -70.77 105.95 3.39 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.073 -0.512 . . . . 0.0 111.166 -178.084 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 15.5 pt-20 -71.51 -19.98 62.11 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.121 170.261 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 67.5 ttp -140.71 114.63 9.03 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.191 172.971 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 98.5 mttt -98.38 171.42 8.19 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.083 -0.508 . . . . 0.0 111.209 -175.384 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 96.0 mt -77.52 147.33 35.86 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.185 -179.354 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 97.3 mttt -105.03 165.05 11.34 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.291 -178.706 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 23.5 t-160 -89.85 109.97 20.93 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.165 176.694 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 96.3 m-85 -100.29 144.93 28.72 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.381 -0.372 . . . . 0.0 111.292 -175.734 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 97.3 mttt -111.64 90.63 3.39 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.207 176.06 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 19' ' ' ILE . . . . . 0.407 ' O ' ' HA ' ' A' ' 99' ' ' VAL . 42.8 mm -109.95 140.04 30.61 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.261 -169.433 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 49.8 m-85 -77.6 141.26 39.6 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.315 -0.402 . . . . 0.0 111.254 178.838 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 21.1 pt-20 -51.84 125.5 15.34 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.103 -0.498 . . . . 0.0 111.194 -179.325 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 97.7 -21.01 48.36 Favored Glycine 0 CA--C 1.526 0.78 0 N-CA-C 111.156 -0.778 . . . . 0.0 111.156 177.469 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 60.0 ttm -76.97 135.86 66.84 Favored Pre-proline 0 C--N 1.328 -0.346 0 CA-C-O 120.86 0.362 . . . . 0.0 111.306 -177.67 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 73.9 Cg_endo -71.53 150.38 57.35 Favored 'Trans proline' 0 N--CA 1.459 -0.554 0 C-N-CA 121.601 1.534 . . . . 0.0 111.15 175.823 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 7.8 p -152.56 132.72 3.91 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.239 0 CA-C-N 115.992 -0.549 . . . . 0.0 111.187 177.214 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 92.5 m -109.26 130.82 55.48 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.14 176.423 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 22.3 p90 -147.96 149.61 32.49 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.067 -0.515 . . . . 0.0 111.142 179.492 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 8.9 t -151.39 160.87 43.54 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.133 -163.369 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 27.1 p -139.57 172.66 12.48 Favored 'General case' 0 C--O 1.234 0.259 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.156 175.601 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 57.5 ttt85 -147.61 133.06 18.62 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 116.405 -0.361 . . . . 0.0 111.143 -177.877 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 10.6 p -115.9 128.27 73.23 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.423 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.188 -178.224 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -101.11 69.1 1.28 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.162 -177.696 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -110.46 -178.11 20.74 Favored Glycine 0 CA--C 1.522 0.518 0 N-CA-C 111.221 -0.752 . . . . 0.0 111.221 179.1 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 34' ' ' ASN . . . . . 0.417 ' HA ' ' HA ' ' A' ' 35' ' ' PRO . 54.1 t-20 -158.16 108.39 1.72 Allowed Pre-proline 0 CA--C 1.511 -0.545 0 CA-C-O 121.212 0.53 . . . . 0.0 110.94 178.086 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 35' ' ' PRO . . . . . 0.417 ' HA ' ' HA ' ' A' ' 34' ' ' ASN . 24.6 Cg_exo -73.21 164.87 85.86 Favored 'Cis proline' 0 N--CA 1.457 -0.623 0 C-N-CA 121.694 -2.211 . . . . 0.0 111.174 7.637 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . 0.437 ' HD2' ' N ' ' A' ' 36' ' ' LYS . 4.3 mptp? -59.92 111.9 4.59 Favored Pre-proline 0 C--N 1.33 -0.265 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.112 -176.373 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 37' ' ' PRO . . . . . 0.429 ' HB2' ' HB1' ' A' ' 84' ' ' ALA . 51.6 Cg_exo -59.72 146.32 95.79 Favored 'Trans proline' 0 N--CA 1.46 -0.49 0 C-N-CA 121.66 1.573 . . . . 0.0 111.088 -178.766 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 98.9 mttt -87.96 127.72 35.37 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.036 -0.529 . . . . 0.0 111.344 174.345 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 87.4 mt -97.15 116.21 38.84 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.039 -174.198 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 92.7 m-85 -103.32 144.83 30.85 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.269 -178.644 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 41' ' ' TRP . . . . . . . . . . . . . 87.7 m95 -105.75 134.62 48.57 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.236 -177.39 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 36.4 p90 -150.2 141.72 23.46 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.272 166.34 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 14.4 tmtt? -109.57 110.04 21.0 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.188 -173.669 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 93.0 m-20 54.98 33.27 19.82 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.301 -0.409 . . . . 0.0 111.176 -174.772 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 94.89 -0.85 64.93 Favored Glycine 0 CA--C 1.524 0.647 0 N-CA-C 111.218 -0.753 . . . . 0.0 111.218 176.991 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 96.9 mttt -94.6 99.9 11.96 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.827 0.346 . . . . 0.0 111.194 -178.611 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 66.3 tt0 -51.6 128.66 23.83 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.119 -177.95 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 97.3 mt -98.4 124.86 51.76 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.273 -178.756 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 49' ' ' SER . . . . . 0.42 ' HA ' ' HD3' ' A' ' 50' ' ' PRO . 30.3 t -86.41 132.88 41.64 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-N 116.336 -0.393 . . . . 0.0 111.197 175.68 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 50' ' ' PRO . . . . . 0.42 ' HD3' ' HA ' ' A' ' 49' ' ' SER . 52.1 Cg_exo -55.02 140.41 79.99 Favored 'Trans proline' 0 N--CA 1.457 -0.661 0 C-N-CA 121.538 1.492 . . . . 0.0 111.25 177.986 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 98.3 mttt 58.14 54.16 6.08 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.258 177.463 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 15.6 t -95.1 -161.71 0.88 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.143 178.995 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 99.5 m-20 -55.32 -44.91 76.28 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.292 -177.123 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 54' ' ' HIS . . . . . . . . . . . . . 99.3 m-70 -135.81 -4.96 2.2 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.349 -178.564 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 55' ' ' TYR . . . . . . . . . . . . . 18.2 m-30 -110.01 95.63 5.72 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.122 -172.913 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 96.3 m -97.56 115.05 27.11 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.092 -0.504 . . . . 0.0 111.165 178.141 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 98.0 mt -102.49 133.58 45.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.115 -178.681 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 70.8 tp60 -130.02 110.2 11.45 Favored 'General case' 0 C--O 1.234 0.289 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.091 174.053 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 43.1 ttm105 -102.32 99.98 10.11 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.208 -175.651 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 66.5 t0 -71.75 128.08 34.64 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.2 173.159 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 95.0 mt -66.55 -15.26 63.27 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.268 -174.974 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 22.8 t70 -64.52 -26.27 68.35 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.301 -0.408 . . . . 0.0 111.059 178.273 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 132.36 0.23 4.59 Favored Glycine 0 CA--C 1.524 0.601 0 N-CA-C 111.135 -0.786 . . . . 0.0 111.135 176.279 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 84.0 m -100.1 135.23 41.84 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.794 0.331 . . . . 0.0 111.231 177.975 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 65' ' ' CYS . . . . . . . . . . . . . 49.6 t -134.88 123.75 23.95 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.189 178.524 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 50.7 m -110.9 147.87 33.68 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.133 -174.065 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 59.6 tp -126.15 120.25 29.63 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.038 -0.528 . . . . 0.0 111.259 168.715 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 71.5 t60 -97.81 124.76 42.33 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.216 172.896 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 96.9 m -100.38 114.9 28.8 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.133 172.391 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 82.6 m -67.16 -40.08 86.59 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.155 -175.853 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -142.91 89.64 2.14 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.134 -177.173 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 22.9 t -78.05 80.07 4.49 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.137 -177.429 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 58.0 p -83.35 176.37 9.16 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.145 -178.975 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 93.9 mt -59.76 -31.27 69.5 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.16 -175.856 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 99.7 m-20 -72.9 -15.67 61.58 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.134 178.967 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 70.0 m-20 -92.21 -4.84 53.56 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.125 -0.488 . . . . 0.0 111.152 179.157 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 53.9 t0 -68.4 128.28 36.02 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.161 174.091 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 156.36 -164.03 32.28 Favored Glycine 0 CA--C 1.522 0.509 0 N-CA-C 111.185 -0.766 . . . . 0.0 111.185 -178.491 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 73.6 m-80 -97.63 110.2 22.81 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.989 0.423 . . . . 0.0 111.113 -173.826 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 80' ' ' TYR . . . . . . . . . . . . . 75.0 m-85 -81.73 60.36 4.62 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.149 172.615 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 76.0 m -65.03 135.73 55.94 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.209 -176.15 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 42.4 pt -121.31 159.77 23.14 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.152 -176.865 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 83' ' ' MET . . . . . . . . . . . . . 60.0 tpp -133.01 117.39 17.56 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.286 -0.415 . . . . 0.0 111.331 178.259 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 84' ' ' ALA . . . . . 0.429 ' HB1' ' HB2' ' A' ' 37' ' ' PRO . . . -95.09 106.76 18.79 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.38 -0.373 . . . . 0.0 110.972 174.808 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -114.11 133.94 55.22 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.312 -0.404 . . . . 0.0 111.258 -172.774 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 86' ' ' ASN . . . . . 0.642 ' HB2' ' CD ' ' A' ' 87' ' ' PRO . 23.7 p-10 -140.76 -179.87 1.09 Allowed Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.026 0.441 . . . . 0.0 111.055 170.637 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 87' ' ' PRO . . . . . 0.642 ' CD ' ' HB2' ' A' ' 86' ' ' ASN . 78.5 Cg_exo -59.31 -25.39 78.17 Favored 'Trans proline' 0 N--CA 1.458 -0.594 0 C-N-CA 121.691 1.594 . . . . 0.0 111.23 -175.1 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 98.1 mm-40 -94.12 -4.97 48.28 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.236 -169.802 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 144.9 -162.31 28.08 Favored Glycine 0 CA--C 1.522 0.502 0 N-CA-C 111.24 -0.744 . . . . 0.0 111.24 -178.098 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 41.7 ptt180 -150.35 158.63 44.37 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.587 0.232 . . . . 0.0 111.153 179.574 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 13.5 p -142.95 137.76 27.07 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.376 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.15 174.623 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 89.9 p -99.27 165.87 11.48 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.257 -177.271 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 93' ' ' CYS . . . . . . . . . . . . . 46.7 t -158.63 130.03 6.45 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.37 172.335 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 91.9 m -81.21 125.45 30.31 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.356 -175.824 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -103.74 56.9 0.57 Allowed Glycine 0 CA--C 1.523 0.578 0 N-CA-C 111.139 -0.784 . . . . 0.0 111.139 -179.073 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -60.08 110.05 1.11 Allowed 'General case' 0 C--N 1.327 -0.385 0 CA-C-O 120.711 0.291 . . . . 0.0 111.158 -178.257 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 2.5 mp -119.86 140.14 51.3 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.357 -0.383 . . . . 0.0 111.202 174.468 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 98' ' ' MET . . . . . . . . . . . . . 65.5 ttp -120.91 139.39 53.29 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.165 -173.175 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 99' ' ' VAL . . . . . 0.407 ' HA ' ' O ' ' A' ' 19' ' ' ILE . 85.0 t -116.48 135.07 57.93 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.222 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.279 -176.118 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 84.7 mt-30 -107.64 143.36 36.22 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.046 179.573 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -75.12 152.78 38.49 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.172 179.887 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 102' ' ' VAL . . . . . . . . . . . . . 85.7 t -105.43 115.15 46.66 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.197 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.266 178.64 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 99.6 m-20 -69.42 -21.86 63.72 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.158 -175.052 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 104' ' ' GLN . . . . . . . . . . . . . 99.7 mm-40 -85.81 -4.93 59.29 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.336 -179.731 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 58.9 ttm-85 -74.12 115.07 13.18 Favored 'General case' 0 C--O 1.234 0.257 0 CA-C-N 115.958 -0.565 . . . . 0.0 111.306 177.878 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . -71.8 -16.5 76.29 Favored Glycine 0 CA--C 1.524 0.63 0 N-CA-C 111.286 -0.725 . . . . 0.0 111.286 -177.53 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 99.8 mtt180 -90.28 -4.7 57.0 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 120.702 0.287 . . . . 0.0 111.127 179.6 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 41.6 t . . . . . 1 C--O 1.002 -11.956 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.266 -179.583 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.524 0.594 0 N-CA-C 111.19 -0.764 . . . . 0.0 111.19 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 65.13 -131.35 35.99 Favored Glycine 0 CA--C 1.523 0.588 0 N-CA-C 111.347 -0.701 . . . . 0.0 111.347 -179.892 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 93.5 p -159.9 168.97 24.52 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 120.653 0.263 . . . . 0.0 111.093 -179.986 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 62.2 t30 55.28 45.0 26.56 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.156 179.881 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -155.37 155.06 32.96 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.209 -179.282 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 88.3 m -140.0 129.66 24.41 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.246 -178.366 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -61.9 152.89 75.1 Favored Pre-proline 0 C--N 1.327 -0.403 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.143 -179.164 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 34.6 Cg_endo -63.93 146.56 91.56 Favored 'Trans proline' 0 N--CA 1.459 -0.535 0 C-N-CA 121.541 1.494 . . . . 0.0 111.269 179.688 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 87.2 t80 -163.36 140.03 7.17 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.317 -0.401 . . . . 0.0 111.208 -176.862 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 72.3 m-85 -89.89 99.17 12.23 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.126 175.938 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 20.2 pt-20 -75.99 -15.34 60.17 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.161 175.887 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 66.1 ttp -137.59 107.99 6.5 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.167 167.76 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 99.5 mttt -95.37 167.35 11.39 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.193 -169.46 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 92.7 mt -83.05 172.29 12.88 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.278 176.677 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 64.0 pttt -135.04 178.79 6.75 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.172 175.161 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 18.2 t-160 -72.84 108.75 5.96 Favored 'General case' 0 C--O 1.234 0.247 0 CA-C-N 116.094 -0.503 . . . . 0.0 111.118 176.078 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 77.8 m-85 -96.41 145.34 25.73 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.421 -0.354 . . . . 0.0 111.414 -176.281 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 99.0 mttt -135.2 139.74 44.76 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.31 -0.404 . . . . 0.0 111.209 177.057 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 10.0 tp -148.38 150.04 14.6 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-N 116.063 -0.517 . . . . 0.0 111.253 -178.229 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 14.9 m-30 -75.02 144.96 42.82 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.412 -0.358 . . . . 0.0 111.243 171.124 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 87.7 tt0 -54.98 124.96 18.42 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 121.027 0.442 . . . . 0.0 111.094 -177.724 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 104.3 -16.21 49.45 Favored Glycine 0 CA--C 1.524 0.613 0 N-CA-C 111.103 -0.799 . . . . 0.0 111.103 171.593 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 91.0 mtp -85.32 154.97 60.16 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 120.931 0.396 . . . . 0.0 111.286 -176.098 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 81.3 Cg_endo -74.91 153.82 42.49 Favored 'Trans proline' 0 N--CA 1.458 -0.615 0 C-N-CA 121.679 1.586 . . . . 0.0 111.289 177.879 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 48.4 t -134.95 123.92 41.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.088 -0.505 . . . . 0.0 111.21 178.285 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 80.8 p -118.45 128.09 54.28 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.085 -179.191 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 35.3 p90 -156.71 161.29 39.84 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.199 175.928 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 13.2 t -153.17 162.08 41.71 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.169 -172.177 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 37.4 t -147.21 147.6 30.63 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.104 -178.191 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 60.8 ttt85 -124.25 136.32 54.06 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.142 -173.93 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 26.9 m -111.87 160.7 11.08 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.432 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.184 -179.388 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -144.81 77.9 1.55 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.229 177.681 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -122.14 -171.7 14.0 Favored Glycine 0 CA--C 1.522 0.474 0 N-CA-C 111.24 -0.744 . . . . 0.0 111.24 176.746 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 34' ' ' ASN . . . . . 0.479 ' HA ' ' HA ' ' A' ' 35' ' ' PRO . 54.1 t-20 -155.25 105.87 2.24 Favored Pre-proline 0 CA--C 1.51 -0.575 0 CA-C-O 121.154 0.502 . . . . 0.0 110.935 178.741 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 35' ' ' PRO . . . . . 0.479 ' HA ' ' HA ' ' A' ' 34' ' ' ASN . 27.5 Cg_exo -70.88 157.16 95.43 Favored 'Cis proline' 0 N--CA 1.458 -0.609 0 C-N-CA 121.563 -2.266 . . . . 0.0 111.202 6.059 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . 0.412 ' HA ' ' HD3' ' A' ' 37' ' ' PRO . 98.6 mttt -56.49 126.11 68.62 Favored Pre-proline 0 C--N 1.331 -0.216 0 CA-C-N 116.092 -0.504 . . . . 0.0 111.036 179.766 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 37' ' ' PRO . . . . . 0.64 ' HA ' ' HB3' ' A' ' 86' ' ' ASN . 78.5 Cg_exo -56.72 145.46 82.33 Favored 'Trans proline' 0 N--CA 1.459 -0.556 0 C-N-CA 121.565 1.51 . . . . 0.0 111.234 -176.741 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 98.8 mttt -91.25 97.12 10.93 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.386 173.257 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 94.5 mt -61.28 120.05 6.43 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.144 -171.485 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 80.3 m-85 -112.13 147.65 35.65 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.239 173.609 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 41' ' ' TRP . . . . . . . . . . . . . 92.6 m95 -116.49 139.92 49.94 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-O 121.036 0.446 . . . . 0.0 111.235 178.919 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 42.7 p90 -151.9 146.44 25.65 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.101 -0.5 . . . . 0.0 111.222 170.002 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 13.1 tmtt? -110.11 109.97 20.68 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.194 -173.627 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 92.0 m-20 54.15 33.7 18.5 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.148 -176.963 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 96.83 -1.92 61.7 Favored Glycine 0 CA--C 1.524 0.633 0 N-CA-C 111.194 -0.762 . . . . 0.0 111.194 176.767 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 96.8 mttt -95.26 99.93 11.8 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.865 0.365 . . . . 0.0 111.153 -177.901 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 66.4 tt0 -50.62 127.53 18.19 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.298 -0.41 . . . . 0.0 111.166 -178.777 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 95.5 mt -96.25 124.07 48.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.203 -177.999 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 49' ' ' SER . . . . . 0.419 ' HA ' ' HD3' ' A' ' 50' ' ' PRO . 31.0 t -84.81 131.75 48.3 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.216 174.504 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 50' ' ' PRO . . . . . 0.419 ' HD3' ' HA ' ' A' ' 49' ' ' SER . 55.1 Cg_exo -54.09 137.12 69.42 Favored 'Trans proline' 0 N--CA 1.457 -0.636 0 C-N-CA 121.682 1.588 . . . . 0.0 111.184 178.156 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 97.8 mttt 59.11 57.65 3.42 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.264 -0.426 . . . . 0.0 111.229 178.401 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 14.1 t -94.99 -161.58 0.87 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.101 179.056 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 99.4 m-20 -55.12 -45.17 75.53 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.226 -178.235 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 54' ' ' HIS . . . . . . . . . . . . . 99.3 m-70 -136.52 -6.38 1.98 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.296 179.227 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 55' ' ' TYR . . . . . . . . . . . . . 21.9 m-30 -105.61 95.93 6.15 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.12 -172.427 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 97.9 m -96.43 123.24 40.01 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.116 179.685 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 98.7 mt -110.57 132.62 58.48 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.313 -0.403 . . . . 0.0 111.084 178.061 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 70.0 tp60 -130.0 110.12 11.41 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.041 174.913 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 40.8 ttm105 -101.8 99.94 10.23 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.249 -175.78 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 66.3 t0 -72.4 131.59 42.81 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.315 -0.402 . . . . 0.0 111.176 174.304 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 95.3 mt -67.75 -13.1 61.83 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.033 -0.53 . . . . 0.0 111.21 -175.459 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 99.3 m-20 -63.88 -26.78 68.76 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.394 -0.366 . . . . 0.0 111.055 177.095 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 128.42 3.35 5.67 Favored Glycine 0 CA--C 1.524 0.595 0 N-CA-C 110.961 -0.856 . . . . 0.0 110.961 177.331 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 89.4 m -108.77 137.34 46.86 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.796 0.331 . . . . 0.0 111.245 177.4 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 65' ' ' CYS . . . . . . . . . . . . . 35.9 t -134.6 134.88 41.75 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.109 175.092 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 48.9 m -110.05 146.62 35.04 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.175 -176.469 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 57.7 tp -124.48 111.72 16.04 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.225 172.681 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 56.1 m170 -108.82 122.64 47.6 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.331 -176.216 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 98.2 m -96.83 120.1 36.53 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.133 175.469 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 80.2 m -65.02 -45.12 86.8 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.06 -0.518 . . . . 0.0 111.237 -175.967 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -144.4 88.58 1.94 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.175 -175.884 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 47.3 t -77.13 109.06 10.67 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.186 -177.631 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 52.9 p -110.26 -178.72 3.58 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 116.322 -0.399 . . . . 0.0 111.111 179.538 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 97.2 mt -60.87 -28.69 69.05 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.054 -0.521 . . . . 0.0 111.163 -178.361 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 98.9 m-20 -76.88 -17.54 58.89 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.04 176.758 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 67.6 m-20 -94.92 -14.95 24.01 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.268 178.792 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 57.1 t0 -55.89 127.98 32.88 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.149 173.883 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 160.72 -163.62 34.22 Favored Glycine 0 CA--C 1.524 0.636 0 N-CA-C 111.163 -0.775 . . . . 0.0 111.163 -179.217 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 73.7 m-80 -106.38 108.99 20.78 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.928 0.394 . . . . 0.0 111.135 -174.502 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 80' ' ' TYR . . . . . . . . . . . . . 56.7 m-85 -84.0 70.22 10.43 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.214 177.568 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 85.5 m -64.87 135.19 55.45 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.241 -170.847 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 4.6 tt -108.5 139.97 28.87 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.141 -179.779 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 83' ' ' MET . . . . . . . . . . . . . 64.1 ttp -121.3 120.39 34.96 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.369 -176.4 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -88.73 69.41 8.72 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.348 -0.387 . . . . 0.0 111.039 175.676 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -78.92 124.05 27.86 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.313 -0.403 . . . . 0.0 111.234 -175.84 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 86' ' ' ASN . . . . . 0.64 ' HB3' ' HA ' ' A' ' 37' ' ' PRO . 27.1 p-10 -147.35 178.12 1.55 Allowed Pre-proline 0 C--N 1.329 -0.31 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.238 172.306 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 87' ' ' PRO . . . . . 0.612 ' CD ' ' HB2' ' A' ' 86' ' ' ASN . 76.8 Cg_exo -58.45 -25.05 72.05 Favored 'Trans proline' 0 N--CA 1.456 -0.722 0 C-N-CA 121.788 1.658 . . . . 0.0 111.233 -175.399 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 96.8 mm-40 -92.89 -5.21 51.4 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.16 -170.561 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 143.59 -154.24 25.4 Favored Glycine 0 CA--C 1.525 0.662 0 N-CA-C 111.243 -0.743 . . . . 0.0 111.243 179.953 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 40.5 ptt180 -155.95 149.28 24.64 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.551 0.215 . . . . 0.0 111.185 177.89 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 59.4 t -128.07 130.91 69.81 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.276 176.826 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 31.4 t -103.28 133.93 47.53 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.326 -179.566 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 93' ' ' CYS . . . . . . . . . . . . . 52.6 t -135.39 131.81 36.77 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.297 174.424 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 85.4 m -71.25 128.01 34.48 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.361 -0.382 . . . . 0.0 111.221 -173.708 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -101.61 58.22 0.64 Allowed Glycine 0 CA--C 1.524 0.641 0 N-CA-C 111.041 -0.824 . . . . 0.0 111.041 175.635 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 80.8 ttt180 -58.53 123.07 15.01 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.707 0.289 . . . . 0.0 111.244 -173.49 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 56.8 tp -130.14 114.18 15.4 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.078 172.121 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 98' ' ' MET . . . . . . . . . . . . . 98.3 mmm -99.93 141.28 32.96 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.13 -0.487 . . . . 0.0 111.107 179.731 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 85.9 t -116.38 119.45 61.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.047 -0.524 . . . . 0.0 111.242 -177.132 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 62.8 tp60 -91.26 120.66 32.35 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.092 -0.504 . . . . 0.0 111.158 178.158 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -68.12 120.12 13.81 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.135 173.746 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 102' ' ' VAL . . . . . . . . . . . . . 67.9 t -128.16 114.42 34.44 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.157 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.161 179.497 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 99.3 m-20 -68.72 -22.73 64.32 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.046 -0.525 . . . . 0.0 111.19 -174.184 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 104' ' ' GLN . . . . . . . . . . . . . 98.9 mm-40 -83.77 -15.7 47.48 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.432 -179.654 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 23.5 tpp180 -77.53 109.43 11.46 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 115.856 -0.611 . . . . 0.0 111.25 178.865 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . -68.18 -17.87 70.54 Favored Glycine 0 CA--C 1.525 0.677 0 N-CA-C 111.243 -0.743 . . . . 0.0 111.243 -174.999 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 99.4 mtt180 -75.37 -21.46 58.29 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.955 0.407 . . . . 0.0 111.225 179.561 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 49.3 m . . . . . 1 C--O 1.0 -12.047 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.288 -178.972 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.524 0.644 0 N-CA-C 111.233 -0.747 . . . . 0.0 111.233 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 75.58 -154.94 46.26 Favored Glycine 0 CA--C 1.524 0.629 0 N-CA-C 111.301 -0.72 . . . . 0.0 111.301 -179.902 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 87.6 p -119.27 -2.77 10.6 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-O 120.802 0.334 . . . . 0.0 111.135 179.82 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 62.4 t30 55.01 45.04 27.22 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.303 -0.408 . . . . 0.0 111.182 -179.191 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -155.04 154.98 33.31 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.076 -0.511 . . . . 0.0 111.184 -178.9 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 87.3 m -140.0 127.73 21.83 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.079 -0.509 . . . . 0.0 111.274 -178.099 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -64.77 146.93 98.41 Favored Pre-proline 0 C--N 1.328 -0.347 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.197 178.394 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 76.5 Cg_exo -54.23 130.76 41.38 Favored 'Trans proline' 0 C--N 1.327 -0.579 0 C-N-CA 121.678 1.586 . . . . 0.0 111.117 -179.942 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 90.3 t80 -144.13 120.25 10.77 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.22 177.65 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 78.2 m-85 -68.71 83.94 0.29 Allowed 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.078 -0.51 . . . . 0.0 111.234 -179.377 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 16.5 pt-20 -64.89 -20.65 66.55 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.197 176.711 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 67.4 ttp -138.06 111.35 7.96 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.153 169.991 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 99.6 mttt -95.36 165.08 12.55 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.19 -172.242 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 90.4 mt -79.59 157.84 27.25 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.293 176.39 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 97.2 mttt -113.64 175.65 5.37 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.24 178.647 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 16.3 t-160 -78.03 106.65 10.04 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.147 173.227 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 76.1 m-85 -97.45 142.62 29.07 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.233 -173.015 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 99.6 mttt -136.6 119.39 16.2 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.294 -0.412 . . . . 0.0 111.239 178.239 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 2.8 pp -137.29 178.59 4.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.194 177.545 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 91.7 m-85 -102.27 145.85 28.85 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.237 -177.814 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . 0.499 ' HG3' ' O ' ' A' ' 21' ' ' GLU . 11.0 pt-20 -54.77 124.98 18.2 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.117 -176.455 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 101.17 -12.85 58.8 Favored Glycine 0 CA--C 1.524 0.634 0 N-CA-C 111.181 -0.767 . . . . 0.0 111.181 173.783 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 98.4 mmm -87.43 150.18 48.38 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 120.883 0.373 . . . . 0.0 111.361 -178.35 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 74.0 Cg_endo -71.32 154.33 61.25 Favored 'Trans proline' 0 N--CA 1.46 -0.498 0 C-N-CA 121.65 1.567 . . . . 0.0 111.264 173.961 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 8.3 p -152.07 130.1 2.59 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.365 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.147 176.256 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 87.2 m -112.09 130.0 56.03 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.244 179.814 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 35.2 p90 -148.46 150.38 33.36 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.246 176.832 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 9.3 t -150.83 155.86 40.07 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.308 -0.406 . . . . 0.0 111.123 -166.307 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 37.7 t -144.79 147.08 32.48 Favored 'General case' 0 C--O 1.234 0.244 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.192 -178.872 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 78.4 ttt180 -127.61 137.87 52.69 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.365 -0.379 . . . . 0.0 111.047 -173.431 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 60.6 t -124.99 125.91 70.33 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.222 -173.312 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -88.14 65.47 8.15 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.169 177.269 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -107.1 162.68 13.38 Favored Glycine 0 CA--C 1.523 0.538 0 N-CA-C 111.196 -0.761 . . . . 0.0 111.196 -177.466 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 34' ' ' ASN . . . . . 0.432 ' HA ' ' HA ' ' A' ' 35' ' ' PRO . 54.0 t-20 -155.06 108.28 2.29 Favored Pre-proline 0 CA--C 1.511 -0.52 0 CA-C-O 121.227 0.537 . . . . 0.0 110.927 178.795 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 35' ' ' PRO . . . . . 0.432 ' HA ' ' HA ' ' A' ' 34' ' ' ASN . 25.1 Cg_exo -74.64 163.35 90.69 Favored 'Cis proline' 0 N--CA 1.458 -0.601 0 C-N-CA 121.484 -2.298 . . . . 0.0 111.233 9.522 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 66.8 mmtt -54.43 117.25 12.77 Favored Pre-proline 0 C--O 1.232 0.176 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.021 179.288 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 37' ' ' PRO . . . . . 0.513 ' HA ' ' HB3' ' A' ' 86' ' ' ASN . 50.3 Cg_exo -58.59 148.3 82.45 Favored 'Trans proline' 0 N--CA 1.458 -0.579 0 C-N-CA 121.687 1.592 . . . . 0.0 111.234 -178.154 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 99.5 mttt -80.03 69.94 6.51 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.209 176.665 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 92.9 mt -41.96 118.45 0.21 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.23 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.181 -170.291 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 75.6 m-85 -107.35 149.51 27.76 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.33 -0.395 . . . . 0.0 111.365 175.938 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 41' ' ' TRP . . . . . . . . . . . . . 83.8 m95 -122.53 139.99 53.27 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-O 121.095 0.474 . . . . 0.0 111.175 176.932 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 42' ' ' PHE . . . . . 0.403 ' HB3' ' HA ' ' A' ' 47' ' ' GLN . 39.2 p90 -152.76 146.43 25.09 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.08 -0.509 . . . . 0.0 111.227 172.288 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . 0.421 ' HB2' HD11 ' A' ' 48' ' ' ILE . 11.7 tmtt? -110.04 109.99 20.74 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.241 -174.661 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 92.1 m-20 54.27 33.55 18.5 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.256 -176.54 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 96.25 -0.32 61.89 Favored Glycine 0 CA--C 1.524 0.646 0 N-CA-C 111.29 -0.724 . . . . 0.0 111.29 176.512 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 96.8 mttt -95.04 100.18 12.05 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.924 0.392 . . . . 0.0 111.172 -178.666 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 47' ' ' GLN . . . . . 0.403 ' HA ' ' HB3' ' A' ' 42' ' ' PHE . 66.3 tt0 -52.46 129.56 29.1 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.259 -178.195 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 48' ' ' ILE . . . . . 0.421 HD11 ' HB2' ' A' ' 43' ' ' LYS . 96.3 mt -105.12 124.99 60.22 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.055 -0.521 . . . . 0.0 111.044 -178.608 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 29.8 t -87.09 135.74 34.68 Favored Pre-proline 0 C--N 1.327 -0.379 0 CA-C-N 116.246 -0.433 . . . . 0.0 111.22 173.831 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_exo -54.81 142.41 74.41 Favored 'Trans proline' 0 N--CA 1.457 -0.628 0 C-N-CA 121.692 1.595 . . . . 0.0 111.242 178.206 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 97.8 mttt 59.4 56.71 3.64 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.344 -0.389 . . . . 0.0 111.211 178.447 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 12.6 t -94.86 -161.12 0.83 Allowed 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.344 178.251 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 99.4 m-20 -55.01 -45.94 75.15 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.268 -0.423 . . . . 0.0 111.225 -178.518 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 54' ' ' HIS . . . . . . . . . . . . . 99.8 m-70 -136.56 -6.39 1.97 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.389 177.995 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 55' ' ' TYR . . . . . . . . . . . . . 22.3 m-30 -101.15 93.16 5.32 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.117 -173.376 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 98.8 m -95.1 114.97 26.83 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.175 179.095 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 92.8 mt -106.81 115.15 47.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.345 -0.389 . . . . 0.0 111.148 -179.563 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 98.6 mm-40 -107.76 109.49 21.07 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.157 174.526 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 38.3 ttm105 -99.97 100.02 10.85 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.311 -0.404 . . . . 0.0 111.205 -176.498 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 62.8 t0 -73.17 135.84 44.69 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.355 -0.384 . . . . 0.0 111.24 176.352 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 95.5 mt -69.73 -10.2 57.4 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.114 -177.353 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 99.0 m-20 -67.05 -17.18 64.78 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.152 175.636 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 113.19 13.77 10.52 Favored Glycine 0 CA--C 1.525 0.679 0 N-CA-C 111.081 -0.807 . . . . 0.0 111.081 176.189 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 10.2 t -125.44 141.17 52.21 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.833 0.349 . . . . 0.0 111.191 179.247 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 65' ' ' CYS . . . . . . . . . . . . . 36.3 t -137.2 138.36 40.1 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.154 -177.49 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 42.3 t -118.35 126.73 52.72 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.25 -177.775 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . 0.599 HD23 ' C ' ' A' ' 67' ' ' LEU . 4.1 tt -100.15 82.6 2.55 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.147 177.293 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 70.6 t60 -73.24 120.03 18.3 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.357 -0.383 . . . . 0.0 111.349 179.983 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 89.5 m -100.57 121.04 40.93 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.052 -0.522 . . . . 0.0 111.11 177.283 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 80.6 m -69.55 -44.22 71.35 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.169 -175.1 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -144.93 87.84 1.86 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.213 -175.819 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 43.1 t -82.56 106.76 14.69 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.183 179.986 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 45.3 p -100.69 179.94 4.27 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.075 -0.511 . . . . 0.0 111.203 -178.434 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 94.0 mt -59.13 -32.21 69.64 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.107 -179.379 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 98.9 m-20 -74.99 -15.64 60.65 Favored 'General case' 0 N--CA 1.453 -0.287 0 CA-C-N 116.297 -0.411 . . . . 0.0 111.111 178.477 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 70.2 m-20 -95.19 -2.61 49.35 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.295 178.796 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 57.8 t0 -66.18 127.18 31.16 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.19 176.546 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 161.9 -163.47 34.79 Favored Glycine 0 CA--C 1.525 0.699 0 N-CA-C 111.289 -0.724 . . . . 0.0 111.289 -179.073 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 73.6 m-80 -105.48 109.16 21.03 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 120.861 0.362 . . . . 0.0 111.205 -173.517 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 80' ' ' TYR . . . . . . . . . . . . . 27.9 m-85 -83.68 70.02 10.25 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.088 178.099 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 88.3 m -64.77 134.64 54.56 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.226 -172.485 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 1.8 tt -107.45 140.07 27.03 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.266 -0.425 . . . . 0.0 111.146 177.373 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 83' ' ' MET . . . . . . . . . . . . . 65.9 ttp -122.47 119.94 32.44 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.316 -178.561 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -90.94 79.92 5.83 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.275 -0.421 . . . . 0.0 111.086 178.096 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -92.34 119.13 31.6 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.208 -175.64 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 86' ' ' ASN . . . . . 0.63 ' HB2' ' CD ' ' A' ' 87' ' ' PRO . 21.7 p-10 -140.12 179.89 1.16 Allowed Pre-proline 0 C--N 1.329 -0.289 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.221 172.624 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 87' ' ' PRO . . . . . 0.63 ' CD ' ' HB2' ' A' ' 86' ' ' ASN . 75.6 Cg_exo -58.93 -26.09 79.79 Favored 'Trans proline' 0 N--CA 1.456 -0.704 0 C-N-CA 121.706 1.604 . . . . 0.0 111.249 -174.895 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 96.8 mm-40 -90.24 -4.96 56.87 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.173 -171.976 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 138.53 -172.96 22.78 Favored Glycine 0 CA--C 1.523 0.587 0 N-CA-C 111.234 -0.746 . . . . 0.0 111.234 179.468 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 41.4 ptt180 -144.3 157.52 44.23 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.724 0.297 . . . . 0.0 111.074 -177.751 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 9.2 p -159.83 141.29 4.33 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.196 -179.868 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 67.7 m -111.31 152.12 27.59 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.292 -171.587 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 93' ' ' CYS . . . . . . . . . . . . . 44.0 t -140.46 135.0 31.54 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.314 172.985 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 87.3 m -70.17 129.36 39.18 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.164 -172.98 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -103.98 55.88 0.6 Allowed Glycine 0 CA--C 1.523 0.583 0 N-CA-C 111.211 -0.756 . . . . 0.0 111.211 176.701 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 78.5 ttt180 -53.52 113.19 1.08 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.671 0.272 . . . . 0.0 111.369 -175.407 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 61.4 tp -121.96 109.94 15.22 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.351 -0.386 . . . . 0.0 111.128 172.302 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 98' ' ' MET . . . . . . . . . . . . . 99.0 mmm -96.28 145.19 25.79 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.11 -0.495 . . . . 0.0 111.089 179.866 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 59.2 t -123.48 129.89 74.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-O 121.083 0.468 . . . . 0.0 111.057 -176.757 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 99.5 mm-40 -95.09 144.76 25.48 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 116.07 -0.514 . . . . 0.0 111.26 179.608 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -76.11 144.98 40.34 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.035 -0.53 . . . . 0.0 111.278 -179.389 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 102' ' ' VAL . . . . . . . . . . . . . 81.9 t -125.09 117.75 50.92 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.309 -0.405 . . . . 0.0 111.24 179.228 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 99.7 m-20 -69.54 -22.8 63.53 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.16 -174.565 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 104' ' ' GLN . . . . . . . . . . . . . 99.8 mm-40 -89.13 -4.91 58.14 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.371 -178.747 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 22.7 tpp180 -69.9 108.87 4.18 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.069 -0.514 . . . . 0.0 111.297 179.063 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . -70.24 -17.11 73.81 Favored Glycine 0 CA--C 1.526 0.766 0 N-CA-C 111.205 -0.758 . . . . 0.0 111.205 -176.959 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 99.8 mtt180 -90.58 -3.36 57.62 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.721 0.296 . . . . 0.0 111.142 -179.591 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 43.4 t . . . . . 1 C--O 1.003 -11.91 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.206 -179.596 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.523 0.591 0 N-CA-C 111.214 -0.755 . . . . 0.0 111.214 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . 0.407 ' O ' ' HB2' ' A' ' 3' ' ' SER . . . 65.31 -124.98 28.63 Favored Glycine 0 CA--C 1.522 0.528 0 N-CA-C 111.383 -0.687 . . . . 0.0 111.383 -179.966 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . 0.407 ' HB2' ' O ' ' A' ' 2' ' ' GLY . 28.6 t 174.93 35.06 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.873 0.368 . . . . 0.0 111.226 -177.189 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 96.4 m-20 64.91 34.98 8.67 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.086 -179.452 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -154.94 154.93 33.36 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.187 -178.74 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 85.9 m -140.03 128.28 22.51 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.08 -0.509 . . . . 0.0 111.446 -177.719 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -64.94 147.91 98.03 Favored Pre-proline 0 C--N 1.326 -0.45 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.173 178.702 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 63.4 Cg_exo -54.66 133.02 54.88 Favored 'Trans proline' 0 N--CA 1.459 -0.537 0 C-N-CA 121.64 1.56 . . . . 0.0 111.248 179.868 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 89.2 t80 -150.93 123.92 8.72 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.282 -0.417 . . . . 0.0 111.149 176.86 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 68.7 m-85 -68.98 84.98 0.33 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.172 179.494 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 16.6 pt-20 -63.8 -21.7 66.55 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.168 174.65 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 66.4 ttp -131.58 112.09 12.31 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.217 167.469 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 98.8 mttt -96.02 165.75 12.1 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.334 -170.264 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 94.1 mt -84.39 170.77 13.24 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.295 177.198 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 64.1 pttt -134.93 178.78 6.76 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.253 176.299 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 18.1 t-160 -72.27 108.14 5.26 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.076 -0.511 . . . . 0.0 111.172 174.477 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 85.1 m-85 -95.17 143.72 26.37 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.31 -0.404 . . . . 0.0 111.268 -175.827 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 99.1 mttt -133.96 138.13 45.28 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.364 177.692 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 10.5 tp -148.93 150.66 13.81 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.366 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.142 -178.1 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 59.6 m-85 -79.22 148.18 32.32 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.318 174.403 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 88.5 tt0 -54.6 123.3 12.73 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.209 -177.326 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 99.97 -13.2 60.65 Favored Glycine 0 CA--C 1.522 0.502 0 N-CA-C 111.254 -0.739 . . . . 0.0 111.254 171.542 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 97.8 mmm -84.98 154.49 60.82 Favored Pre-proline 0 C--N 1.328 -0.331 0 CA-C-O 120.839 0.352 . . . . 0.0 111.345 -176.651 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 72.6 Cg_endo -76.29 154.08 36.26 Favored 'Trans proline' 0 C--N 1.328 -0.504 0 C-N-CA 121.632 1.554 . . . . 0.0 111.192 -179.098 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 57.7 t -134.13 125.4 48.09 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.068 178.069 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 91.4 m -127.19 124.67 39.53 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.249 -179.125 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 51.5 p90 -158.36 164.98 35.81 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.198 172.64 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 11.6 t -146.32 161.65 39.86 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.136 -171.366 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 21.1 t -141.08 142.4 34.15 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.137 -177.941 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 44.2 ttm180 -123.09 137.18 54.99 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.295 -0.412 . . . . 0.0 111.215 -175.099 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 67.5 t -124.49 125.17 69.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.264 -173.717 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -86.61 65.24 8.93 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.254 177.95 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -108.61 160.17 13.83 Favored Glycine 0 CA--C 1.521 0.45 0 N-CA-C 111.231 -0.748 . . . . 0.0 111.231 -178.116 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 34' ' ' ASN . . . . . 0.433 ' HA ' ' HA ' ' A' ' 35' ' ' PRO . 54.1 t-20 -155.03 108.04 2.29 Favored Pre-proline 0 CA--C 1.51 -0.567 0 CA-C-O 121.217 0.532 . . . . 0.0 110.988 178.541 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 35' ' ' PRO . . . . . 0.433 ' HA ' ' HA ' ' A' ' 34' ' ' ASN . 24.6 Cg_exo -74.53 168.98 75.45 Favored 'Cis proline' 0 N--CA 1.456 -0.687 0 C-N-CA 121.579 -2.259 . . . . 0.0 111.211 9.348 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 3.1 mptp? -60.01 115.8 14.57 Favored Pre-proline 0 C--N 1.331 -0.197 0 CA-C-N 116.004 -0.544 . . . . 0.0 111.059 -178.872 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 37' ' ' PRO . . . . . 0.474 ' HA ' ' HB3' ' A' ' 86' ' ' ASN . 52.5 Cg_exo -59.06 150.85 70.49 Favored 'Trans proline' 0 N--CA 1.458 -0.613 0 C-N-CA 121.618 1.546 . . . . 0.0 111.246 -176.213 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 99.2 mttt -81.38 81.75 7.43 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.29 176.016 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 96.2 mt -59.87 123.68 12.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.094 -174.629 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 75.1 m-85 -117.63 144.95 44.69 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.244 174.32 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 41' ' ' TRP . . . . . . . . . . . . . 93.8 m95 -107.79 140.93 40.14 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.245 173.037 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 38.8 p90 -150.33 146.04 26.5 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.353 171.14 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 12.0 tmtt? -110.06 109.99 20.73 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.204 -173.083 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 89.5 m-20 53.79 33.23 16.48 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.144 -176.313 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 96.72 -0.24 60.94 Favored Glycine 0 CA--C 1.525 0.718 0 N-CA-C 111.026 -0.83 . . . . 0.0 111.026 176.673 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 96.9 mttt -95.09 100.33 12.17 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 120.747 0.308 . . . . 0.0 111.115 -178.512 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 66.3 tt0 -51.51 129.03 24.57 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.338 -0.392 . . . . 0.0 111.192 -178.024 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 94.4 mt -100.07 124.94 53.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.167 -179.331 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 30.3 t -87.84 133.03 38.45 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.269 174.296 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_exo -54.7 140.93 76.7 Favored 'Trans proline' 0 N--CA 1.457 -0.67 0 C-N-CA 121.683 1.589 . . . . 0.0 111.242 178.159 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 98.1 mttt 58.73 54.62 5.15 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.197 177.371 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 14.8 t -95.02 -162.19 0.93 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.231 178.488 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 99.6 m-20 -55.74 -45.83 77.94 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.29 -0.414 . . . . 0.0 111.168 -177.631 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 54' ' ' HIS . . . . . . . . . . . . . 99.4 m-70 -135.85 -4.93 2.2 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.11 -0.495 . . . . 0.0 111.206 179.565 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 55' ' ' TYR . . . . . . . . . . . . . 22.0 m-30 -107.38 95.5 5.75 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-O 121.131 0.491 . . . . 0.0 111.082 -173.437 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 98.0 m -99.07 124.51 44.13 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-N 116.059 -0.518 . . . . 0.0 111.11 179.751 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 96.2 mt -114.21 124.52 70.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.312 -0.404 . . . . 0.0 111.081 -179.312 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 99.2 mm-40 -103.84 133.77 48.26 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.133 173.813 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 99.6 mtt180 -116.0 105.79 13.04 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.367 -0.379 . . . . 0.0 111.173 -174.601 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 67.3 t0 -90.73 119.97 31.4 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.328 -0.397 . . . . 0.0 111.273 172.474 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 95.8 mt -70.14 -7.81 44.64 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.217 -170.576 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 96.8 m-20 -69.89 -16.96 63.32 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.322 -0.399 . . . . 0.0 111.014 176.804 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 120.51 22.68 3.03 Favored Glycine 0 CA--C 1.524 0.634 0 N-CA-C 111.024 -0.83 . . . . 0.0 111.024 179.249 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 35.1 m -125.53 142.84 51.29 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-O 120.844 0.354 . . . . 0.0 111.326 -179.145 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 65' ' ' CYS . . . . . . . . . . . . . 20.4 t -140.89 138.08 33.65 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.235 -0.438 . . . . 0.0 111.086 178.35 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 33.3 t -120.73 137.51 54.45 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.065 -0.516 . . . . 0.0 111.303 -174.62 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 64.9 tp -114.87 123.06 48.2 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.193 179.479 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 77.3 t60 -118.19 121.58 40.85 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.255 178.753 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 95.8 m -98.37 119.68 37.48 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.037 -0.529 . . . . 0.0 111.145 171.904 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 79.9 m -64.51 -45.11 88.65 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.277 -175.989 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -144.79 88.3 1.9 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.078 -0.51 . . . . 0.0 111.19 -176.626 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 47.6 t -76.48 107.25 8.62 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.016 -0.538 . . . . 0.0 111.203 -177.274 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 52.3 p -107.06 -179.73 4.02 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.209 -179.685 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 97.3 mt -61.69 -26.77 68.24 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.229 -178.188 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 98.8 m-20 -77.81 -17.81 57.05 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.099 176.132 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 69.0 m-20 -93.97 -13.97 26.44 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.218 178.639 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 57.1 t0 -56.83 127.29 30.93 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.203 174.855 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 161.62 -164.52 35.19 Favored Glycine 0 CA--C 1.525 0.698 0 N-CA-C 111.191 -0.764 . . . . 0.0 111.191 -179.736 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 74.2 m-80 -104.95 108.59 20.19 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-O 120.84 0.353 . . . . 0.0 111.227 -173.95 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 80' ' ' TYR . . . . . . . . . . . . . 52.8 m-85 -84.76 70.47 10.82 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.186 178.331 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 86.5 m -65.05 135.11 55.19 Favored 'General case' 0 C--O 1.234 0.261 0 CA-C-N 116.264 -0.425 . . . . 0.0 111.089 -172.938 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 2.7 tt -108.51 139.96 28.9 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.392 0 CA-C-O 120.968 0.413 . . . . 0.0 111.044 177.841 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 83' ' ' MET . . . . . . . . . . . . . 60.4 ttm -126.78 123.34 37.17 Favored 'General case' 0 C--N 1.332 -0.169 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.258 179.146 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -106.23 92.55 4.18 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.288 -0.415 . . . . 0.0 111.175 178.739 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -102.62 128.93 49.09 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.287 -173.934 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 86' ' ' ASN . . . . . 0.651 ' HB2' ' CD ' ' A' ' 87' ' ' PRO . 22.7 p-10 -141.45 -179.93 1.09 Allowed Pre-proline 0 C--N 1.326 -0.425 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.258 172.355 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 87' ' ' PRO . . . . . 0.651 ' CD ' ' HB2' ' A' ' 86' ' ' ASN . 71.5 Cg_exo -57.91 -25.82 71.52 Favored 'Trans proline' 0 N--CA 1.456 -0.699 0 C-N-CA 121.605 1.537 . . . . 0.0 111.418 -174.676 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 97.9 mm-40 -91.6 -5.11 54.49 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.029 -0.532 . . . . 0.0 111.083 -171.274 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 140.83 -169.15 25.02 Favored Glycine 0 CA--C 1.524 0.651 0 N-CA-C 111.27 -0.732 . . . . 0.0 111.27 -179.309 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 41.1 ptt180 -144.99 159.99 42.07 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.614 0.245 . . . . 0.0 111.224 -179.417 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 14.6 p -152.52 140.0 13.49 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.071 179.145 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 67.0 m -120.12 152.7 37.24 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.918 0.389 . . . . 0.0 111.369 -173.714 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 93' ' ' CYS . . . . . . . . . . . . . 45.5 t -147.42 139.83 24.6 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.284 175.671 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 86.5 m -77.71 127.27 32.18 Favored 'General case' 0 C--O 1.234 0.249 0 CA-C-N 116.302 -0.408 . . . . 0.0 111.321 -173.378 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -99.64 55.44 0.91 Allowed Glycine 0 CA--C 1.524 0.612 0 N-CA-C 111.166 -0.774 . . . . 0.0 111.166 177.355 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 79.9 ttt180 -52.35 115.34 1.7 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.642 0.258 . . . . 0.0 111.252 -177.639 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 61.3 tp -124.47 110.03 14.0 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.222 172.609 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 98' ' ' MET . . . . . . . . . . . . . 98.9 mmm -97.61 141.56 30.49 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.204 -179.951 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 76.3 t -117.22 128.71 74.5 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.264 -0.426 . . . . 0.0 111.205 -176.238 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 99.2 mm-40 -89.85 125.8 35.46 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.241 177.862 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -63.25 135.95 57.4 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.215 -177.592 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 102' ' ' VAL . . . . . . . . . . . . . 81.9 t -120.55 111.1 30.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.195 178.263 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 99.6 m-20 -70.34 -20.11 63.01 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.144 -175.818 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 104' ' ' GLN . . . . . . . . . . . . . 99.8 mm-40 -87.4 -4.55 59.03 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.336 -0.393 . . . . 0.0 111.292 -179.082 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 24.6 tpp180 -70.0 108.34 4.0 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.062 -0.517 . . . . 0.0 111.215 179.769 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . -69.82 -16.89 72.76 Favored Glycine 0 CA--C 1.524 0.645 0 N-CA-C 111.35 -0.7 . . . . 0.0 111.35 -177.215 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 99.9 mtt180 -90.7 -1.78 57.85 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.819 0.342 . . . . 0.0 111.2 -179.72 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 42.7 t . . . . . 1 C--O 0.999 -12.085 0 CA-C-N 116.291 -0.413 . . . . 0.0 111.249 -179.945 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.522 0.514 0 N-CA-C 111.22 -0.752 . . . . 0.0 111.22 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 94.72 -142.26 15.96 Favored Glycine 0 CA--C 1.522 0.524 0 N-CA-C 111.341 -0.704 . . . . 0.0 111.341 179.539 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 91.8 p -147.28 173.6 12.42 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-O 120.589 0.233 . . . . 0.0 111.175 -179.156 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 96.5 m-20 64.82 34.99 8.88 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.377 -0.374 . . . . 0.0 111.168 -178.737 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -164.77 169.41 16.78 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.035 -0.529 . . . . 0.0 111.186 -178.155 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 88.6 m -123.81 119.2 29.01 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.266 -179.636 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -64.82 144.97 98.99 Favored Pre-proline 0 C--N 1.325 -0.474 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.187 -179.885 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 69.5 Cg_exo -54.84 129.71 36.65 Favored 'Trans proline' 0 N--CA 1.458 -0.583 0 C-N-CA 121.832 1.688 . . . . 0.0 111.236 -179.88 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 90.1 t80 -153.44 123.43 6.91 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.284 -0.416 . . . . 0.0 111.139 172.832 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 35.4 m-85 -70.09 93.32 0.8 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.083 -0.508 . . . . 0.0 111.143 -175.798 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 17.0 pt-20 -63.06 -20.08 65.0 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.15 174.423 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 66.6 ttp -136.1 101.5 4.73 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.143 171.9 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 98.8 mttt -88.12 167.74 13.38 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.22 -172.632 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 95.7 mt -79.16 154.84 28.99 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.209 176.949 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 97.5 mttt -115.01 179.76 3.86 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.087 -0.506 . . . . 0.0 111.247 177.009 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 19.9 t-160 -74.81 110.04 8.77 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.101 -0.499 . . . . 0.0 111.161 173.498 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 69.5 m-85 -101.58 147.44 26.4 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.331 -0.395 . . . . 0.0 111.16 -174.8 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 98.9 mttt -135.07 140.01 45.21 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.244 177.285 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 10.7 tp -150.0 149.56 14.44 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.369 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.035 -178.52 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 56.2 m-85 -77.43 145.93 36.85 Favored 'General case' 0 C--N 1.332 -0.179 0 CA-C-N 116.134 -0.484 . . . . 0.0 111.284 177.943 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 88.4 tt0 -55.43 124.25 16.56 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.2 -176.5 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 94.92 -10.53 70.21 Favored Glycine 0 CA--C 1.524 0.596 0 N-CA-C 111.213 -0.755 . . . . 0.0 111.213 172.616 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 95.9 mmm -90.55 153.12 45.83 Favored Pre-proline 0 C--N 1.327 -0.397 0 CA-C-O 120.895 0.378 . . . . 0.0 111.263 -176.148 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 72.1 Cg_endo -74.74 152.55 42.3 Favored 'Trans proline' 0 C--N 1.329 -0.497 0 C-N-CA 121.676 1.584 . . . . 0.0 111.208 178.489 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 8.8 p -152.63 134.23 5.38 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.173 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.129 176.6 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 82.0 m -119.86 135.32 54.92 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.012 -178.687 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 26.9 p90 -149.99 154.74 38.72 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.128 174.794 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 12.6 t -147.32 162.19 39.47 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.088 -0.506 . . . . 0.0 111.171 -168.384 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 34.1 t -147.44 147.78 30.58 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.303 -0.408 . . . . 0.0 111.186 -177.949 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 43.4 ttm180 -126.22 139.95 52.93 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.293 -0.412 . . . . 0.0 111.16 -175.809 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 10.6 p -124.81 133.62 68.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.195 -175.868 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -92.79 65.12 4.16 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.092 -0.504 . . . . 0.0 111.241 177.573 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -108.09 158.93 14.6 Favored Glycine 0 CA--C 1.521 0.435 0 N-CA-C 111.242 -0.743 . . . . 0.0 111.242 -176.649 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 34' ' ' ASN . . . . . 0.426 ' HA ' ' HA ' ' A' ' 35' ' ' PRO . 54.1 t-20 -154.88 108.89 2.32 Favored Pre-proline 0 CA--C 1.51 -0.558 0 CA-C-O 121.155 0.503 . . . . 0.0 110.986 177.18 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 35' ' ' PRO . . . . . 0.426 ' HA ' ' HA ' ' A' ' 34' ' ' ASN . 24.3 Cg_exo -74.54 165.9 84.3 Favored 'Cis proline' 0 N--CA 1.456 -0.701 0 C-N-CA 121.512 -2.287 . . . . 0.0 111.299 8.909 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . 0.411 ' HD2' ' N ' ' A' ' 36' ' ' LYS . 4.6 mptp? -59.6 115.76 13.91 Favored Pre-proline 0 C--N 1.332 -0.181 0 CA-C-N 115.988 -0.551 . . . . 0.0 111.035 -178.724 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 37' ' ' PRO . . . . . 0.574 ' HA ' ' HB3' ' A' ' 86' ' ' ASN . 50.5 Cg_exo -59.92 152.94 60.77 Favored 'Trans proline' 0 N--CA 1.459 -0.512 0 C-N-CA 121.594 1.53 . . . . 0.0 111.182 -176.111 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 99.7 mttt -82.59 70.11 9.5 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.502 177.29 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 77.8 mt -41.96 125.12 0.57 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.222 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.049 -175.633 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 77.6 m-85 -112.04 144.82 40.76 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.234 173.653 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 41' ' ' TRP . . . . . . . . . . . . . 93.6 m95 -109.48 138.81 45.28 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.179 172.203 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 34.7 p90 -152.45 145.86 24.83 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.073 -0.512 . . . . 0.0 111.319 170.992 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 12.1 tmtt? -109.92 109.95 20.73 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.284 -0.416 . . . . 0.0 111.295 -174.522 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 87.9 m-20 53.35 33.19 15.18 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.132 -175.557 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 96.71 0.33 60.69 Favored Glycine 0 CA--C 1.524 0.649 0 N-CA-C 111.082 -0.807 . . . . 0.0 111.082 176.525 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 97.4 mttt -94.93 101.57 13.35 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.872 0.368 . . . . 0.0 111.258 -178.695 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 66.3 tt0 -51.7 129.95 27.35 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.288 -0.414 . . . . 0.0 111.285 -177.265 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 96.1 mt -101.99 125.06 56.21 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.197 -179.557 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 49' ' ' SER . . . . . 0.424 ' HA ' ' HD3' ' A' ' 50' ' ' PRO . 30.3 t -88.75 135.0 32.69 Favored Pre-proline 0 C--N 1.327 -0.41 0 CA-C-N 116.295 -0.412 . . . . 0.0 111.176 175.516 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 50' ' ' PRO . . . . . 0.424 ' HD3' ' HA ' ' A' ' 49' ' ' SER . 53.1 Cg_exo -55.04 138.22 78.11 Favored 'Trans proline' 0 N--CA 1.46 -0.471 0 C-N-CA 121.565 1.51 . . . . 0.0 111.2 178.348 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 97.8 mttt 58.84 57.04 3.8 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.079 -0.509 . . . . 0.0 111.226 177.722 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 13.7 t -94.94 -161.53 0.87 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.228 178.48 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 99.6 m-20 -55.21 -45.34 75.9 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.304 -178.038 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 54' ' ' HIS . . . . . . . . . . . . . 99.4 m-70 -136.22 -5.13 2.1 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.433 179.291 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 55' ' ' TYR . . . . . . . . . . . . . 22.3 m-30 -106.26 94.95 5.43 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.103 -0.499 . . . . 0.0 111.108 -172.935 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 96.8 m -98.95 124.14 43.71 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.166 -179.734 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 96.6 mt -111.14 125.08 68.45 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.236 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.149 -177.765 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 99.2 mm-40 -103.92 136.6 43.27 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.267 172.374 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 62.2 mtp180 -121.18 97.7 5.64 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.322 -0.399 . . . . 0.0 111.232 -172.505 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 67.5 t0 -84.82 120.22 26.2 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.199 173.457 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 96.0 mt -71.54 -7.06 45.24 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.084 -0.507 . . . . 0.0 111.117 -170.187 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 96.4 m-20 -70.08 -16.54 63.14 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.372 -0.376 . . . . 0.0 111.066 176.414 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 120.66 23.37 2.83 Favored Glycine 0 CA--C 1.524 0.631 0 N-CA-C 111.041 -0.824 . . . . 0.0 111.041 179.044 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 47.2 m -126.3 139.93 52.92 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.83 0.348 . . . . 0.0 111.226 -179.424 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 65' ' ' CYS . . . . . . . . . . . . . 11.9 t -140.2 140.06 35.78 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.153 178.026 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 40.0 t -125.48 137.13 53.96 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.164 -174.104 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 66.9 tp -114.32 119.97 38.78 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.178 177.142 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 63.1 t60 -109.79 128.85 55.58 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.335 177.608 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 91.9 m -103.63 118.55 36.98 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.147 173.117 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 83.1 m -66.19 -43.3 87.22 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.236 -175.937 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -142.91 85.83 1.9 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.13 -176.762 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 46.8 t -78.37 106.43 10.29 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.039 -0.528 . . . . 0.0 111.17 -177.159 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 54.4 p -104.96 179.32 4.3 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.193 -179.767 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 97.0 mt -61.86 -26.18 67.99 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.048 -0.524 . . . . 0.0 111.257 -178.672 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 98.8 m-20 -76.85 -19.16 57.82 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.058 -0.519 . . . . 0.0 111.157 175.178 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 67.8 m-20 -93.14 -16.07 25.31 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.11 178.085 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 56.8 t0 -54.96 127.98 31.33 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.195 174.289 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 161.19 -163.94 34.63 Favored Glycine 0 CA--C 1.523 0.591 0 N-CA-C 111.247 -0.741 . . . . 0.0 111.247 -179.813 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 74.5 m-80 -104.94 108.12 19.46 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.89 0.376 . . . . 0.0 111.166 -174.183 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 80' ' ' TYR . . . . . . . . . . . . . 51.2 m-85 -84.32 69.92 10.54 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.088 -0.505 . . . . 0.0 111.264 178.072 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 88.3 m -64.08 133.93 53.96 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.164 -172.53 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 7.8 tt -107.74 140.04 27.53 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.319 -0.401 . . . . 0.0 111.19 177.789 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 83' ' ' MET . . . . . . . . . . . . . 67.1 ttp -131.38 117.06 18.36 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.373 -0.376 . . . . 0.0 111.224 179.872 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -92.39 85.32 5.34 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.343 -0.39 . . . . 0.0 111.106 177.12 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -95.13 131.64 40.93 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.321 -174.017 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 86' ' ' ASN . . . . . 0.627 ' HB2' ' CD ' ' A' ' 87' ' ' PRO . 26.2 p30 -146.6 178.23 1.51 Allowed Pre-proline 0 C--N 1.328 -0.365 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.142 171.93 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 87' ' ' PRO . . . . . 0.627 ' CD ' ' HB2' ' A' ' 86' ' ' ASN . 73.9 Cg_exo -59.01 -25.03 76.22 Favored 'Trans proline' 0 N--CA 1.459 -0.533 0 C-N-CA 121.743 1.629 . . . . 0.0 111.195 -175.073 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 93.6 mm-40 -93.5 -5.05 50.0 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.081 -0.509 . . . . 0.0 111.279 -169.977 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 145.35 -166.86 27.57 Favored Glycine 0 CA--C 1.522 0.505 0 N-CA-C 111.264 -0.735 . . . . 0.0 111.264 -178.22 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 41.2 ptt180 -151.36 159.94 44.02 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-O 120.63 0.252 . . . . 0.0 111.148 179.035 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 11.5 p -147.14 137.04 16.91 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.394 0 CA-C-N 116.305 -0.407 . . . . 0.0 111.279 174.819 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 70.0 m -118.79 151.51 37.91 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.264 -0.425 . . . . 0.0 111.303 -174.152 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 93' ' ' CYS . . . . . . . . . . . . . 53.8 t -150.2 135.53 18.04 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.313 -0.403 . . . . 0.0 111.305 176.087 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 86.3 m -71.17 129.83 39.91 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.306 -175.35 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -102.13 55.62 0.7 Allowed Glycine 0 CA--C 1.524 0.604 0 N-CA-C 111.198 -0.761 . . . . 0.0 111.198 177.792 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 79.6 ttt180 -51.66 114.21 1.2 Allowed 'General case' 0 C--N 1.326 -0.433 0 CA-C-O 120.706 0.288 . . . . 0.0 111.246 -177.511 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 65.2 tp -123.5 110.46 15.1 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.32 -0.4 . . . . 0.0 111.214 171.861 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 98' ' ' MET . . . . . . . . . . . . . 98.8 mmm -97.26 140.86 31.11 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.238 179.991 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 98.9 t -115.26 126.49 72.84 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.294 -0.412 . . . . 0.0 111.312 -176.916 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 63.3 tt0 -100.06 122.76 43.43 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.097 179.1 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -60.31 111.2 1.46 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.148 179.985 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 102' ' ' VAL . . . . . 0.678 ' O ' HG13 ' A' ' 102' ' ' VAL . 8.9 p -103.48 96.16 4.4 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.154 -179.775 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 99.3 m-20 -77.89 -9.8 59.25 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.099 -0.5 . . . . 0.0 111.159 -178.011 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 104' ' ' GLN . . . . . . . . . . . . . 99.7 mm-40 -85.1 -10.4 56.86 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.323 -179.528 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 25.0 tpt180 -99.6 116.37 31.57 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.042 -0.526 . . . . 0.0 111.205 -179.19 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . -73.05 -19.82 79.75 Favored Glycine 0 CA--C 1.525 0.703 0 N-CA-C 111.267 -0.733 . . . . 0.0 111.267 -178.564 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 99.9 mtt180 -90.63 2.2 56.1 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.872 0.368 . . . . 0.0 111.209 178.967 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 41.2 t . . . . . 1 C--O 1.002 -11.965 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.223 179.437 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.523 0.533 0 N-CA-C 111.25 -0.74 . . . . 0.0 111.25 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 64.97 -125.02 29.57 Favored Glycine 0 CA--C 1.522 0.482 0 N-CA-C 111.343 -0.703 . . . . 0.0 111.343 -179.95 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 40.7 t -179.32 75.04 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.698 0.285 . . . . 0.0 111.297 -177.771 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 62.6 t30 54.92 45.05 27.31 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.154 -179.18 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -154.98 155.04 33.49 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.012 -0.54 . . . . 0.0 111.108 -178.132 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 87.9 m -138.77 128.97 25.54 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.086 -0.507 . . . . 0.0 111.348 -177.104 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -63.16 150.67 88.35 Favored Pre-proline 0 C--N 1.325 -0.476 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.167 178.013 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 33.2 Cg_endo -64.94 136.46 48.72 Favored 'Trans proline' 0 N--CA 1.458 -0.594 0 C-N-CA 121.679 1.586 . . . . 0.0 111.205 -178.185 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 92.1 t80 -150.53 122.11 7.99 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.266 -0.425 . . . . 0.0 111.146 179.48 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 89.7 m-85 -70.88 83.66 0.66 Allowed 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.13 -0.487 . . . . 0.0 111.157 179.349 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 21.6 pt-20 -69.48 -15.92 63.36 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.046 -0.525 . . . . 0.0 111.218 177.25 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 65.6 ttp -138.62 107.2 5.87 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.078 -0.51 . . . . 0.0 111.214 167.336 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 99.2 mttt -92.06 165.59 13.1 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.275 -0.421 . . . . 0.0 111.372 -173.155 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 96.0 mt -81.0 149.6 29.23 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.136 174.139 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 96.5 mttt -107.31 168.59 9.12 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.074 -0.512 . . . . 0.0 111.156 179.994 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 22.9 t-160 -70.77 110.97 5.87 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.127 171.57 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 71.0 m-85 -99.99 143.19 30.49 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.374 -0.376 . . . . 0.0 111.185 -173.454 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 98.7 mttt -122.34 102.09 7.9 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.202 -179.565 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 42.7 mm -121.97 141.39 42.59 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.367 0 CA-C-N 116.099 -0.5 . . . . 0.0 111.218 -172.106 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 43.6 m-85 -73.61 147.05 44.17 Favored 'General case' 0 CA--C 1.519 -0.219 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.289 179.829 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 79.9 tt0 -55.03 120.14 6.48 Favored 'General case' 0 C--N 1.332 -0.155 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.271 -178.94 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 96.54 -12.31 66.34 Favored Glycine 0 CA--C 1.524 0.619 0 N-CA-C 111.127 -0.789 . . . . 0.0 111.127 175.44 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 24.4 ttt -80.05 134.59 55.97 Favored Pre-proline 0 C--N 1.328 -0.359 0 CA-C-O 120.812 0.339 . . . . 0.0 111.341 -178.464 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 60.4 Cg_endo -69.27 148.65 68.71 Favored 'Trans proline' 0 C--N 1.328 -0.51 0 C-N-CA 121.523 1.482 . . . . 0.0 111.213 176.394 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 7.1 p -146.67 134.59 15.22 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.221 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.093 179.325 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 85.7 m -115.77 130.12 56.72 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.214 174.86 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 30.9 p90 -141.19 154.89 46.06 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.081 -0.509 . . . . 0.0 111.107 176.676 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 10.7 t -148.27 155.81 41.78 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.242 -168.253 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 47.4 t -145.0 141.66 29.13 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.311 -0.404 . . . . 0.0 111.144 -176.113 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 58.0 ttt85 -120.01 132.19 55.39 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.08 -172.777 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 98.5 t -120.58 126.28 75.07 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.377 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.302 -175.876 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -87.38 65.12 8.56 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.059 -0.519 . . . . 0.0 111.289 177.606 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -107.11 158.99 14.84 Favored Glycine 0 CA--C 1.523 0.582 0 N-CA-C 111.151 -0.78 . . . . 0.0 111.151 -177.367 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 34' ' ' ASN . . . . . 0.433 ' HA ' ' HA ' ' A' ' 35' ' ' PRO . 54.2 t-20 -154.94 108.19 2.31 Favored Pre-proline 0 CA--C 1.511 -0.554 0 CA-C-O 121.149 0.5 . . . . 0.0 110.977 177.069 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 35' ' ' PRO . . . . . 0.433 ' HA ' ' HA ' ' A' ' 34' ' ' ASN . 24.0 Cg_exo -74.31 166.4 82.76 Favored 'Cis proline' 0 N--CA 1.455 -0.768 0 C-N-CA 121.749 -2.188 . . . . 0.0 111.323 8.443 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 5.0 mptp? -59.14 116.68 16.8 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.068 179.536 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 37' ' ' PRO . . . . . 0.513 ' HA ' ' HB3' ' A' ' 86' ' ' ASN . 77.3 Cg_exo -55.85 147.07 64.0 Favored 'Trans proline' 0 C--N 1.328 -0.526 0 C-N-CA 121.618 1.545 . . . . 0.0 111.218 -176.632 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 98.7 mttt -73.8 69.66 1.37 Allowed 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.383 175.279 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 44.0 mm -43.05 120.75 0.4 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.183 -170.517 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 82.4 m-85 -107.16 140.48 39.95 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.113 176.102 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 41' ' ' TRP . . . . . . . . . . . . . 91.7 m95 -113.86 135.17 54.26 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.061 -0.518 . . . . 0.0 111.219 174.999 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 33.7 p90 -153.24 146.21 24.52 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.088 -0.505 . . . . 0.0 111.242 173.147 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 12.6 tmtt? -110.01 110.0 20.77 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.182 -174.133 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 90.0 m-20 54.72 32.8 18.13 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.246 -0.433 . . . . 0.0 111.091 -176.257 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 95.85 -0.05 62.49 Favored Glycine 0 CA--C 1.525 0.706 0 N-CA-C 111.118 -0.793 . . . . 0.0 111.118 176.936 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 97.0 mttt -95.1 100.92 12.66 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.874 0.368 . . . . 0.0 111.19 -178.797 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 66.4 tt0 -50.92 128.72 21.95 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.25 -178.067 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 95.6 mt -98.45 125.06 51.88 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.381 0 CA-C-N 116.294 -0.412 . . . . 0.0 111.157 -178.452 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 49' ' ' SER . . . . . 0.411 ' HA ' ' HD3' ' A' ' 50' ' ' PRO . 31.1 t -84.15 131.07 52.08 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-N 116.266 -0.425 . . . . 0.0 111.131 174.161 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 50' ' ' PRO . . . . . 0.411 ' HD3' ' HA ' ' A' ' 49' ' ' SER . 54.3 Cg_exo -54.87 136.17 71.08 Favored 'Trans proline' 0 N--CA 1.457 -0.651 0 C-N-CA 121.849 1.699 . . . . 0.0 111.121 178.594 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 97.9 mttt 59.02 57.66 3.45 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-O 120.944 0.402 . . . . 0.0 111.183 178.372 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 14.9 t -94.96 -161.49 0.86 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.294 178.812 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 99.5 m-20 -55.03 -45.49 75.18 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.241 -177.941 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 54' ' ' HIS . . . . . . . . . . . . . 99.5 m-70 -136.73 -5.09 1.97 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.444 179.979 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 55' ' ' TYR . . . . . . . . . . . . . 22.0 m-30 -107.34 95.84 5.99 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.144 -173.007 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 97.1 m -99.12 118.61 36.25 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.164 -178.846 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 97.9 mt -102.88 130.54 52.8 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.313 -0.403 . . . . 0.0 111.185 179.179 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 70.4 tp60 -130.05 109.93 11.23 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.242 174.034 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 83.5 mtm180 -104.47 114.68 29.07 Favored 'General case' 0 C--O 1.235 0.301 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.16 -177.284 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 65.0 t0 -87.13 130.57 34.47 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 116.287 -0.415 . . . . 0.0 111.25 174.372 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 95.1 mt -65.82 -14.4 61.33 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.091 -0.504 . . . . 0.0 111.041 -176.324 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 30.3 t70 -61.17 -32.53 72.26 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.326 -0.397 . . . . 0.0 111.075 176.532 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 132.39 0.32 4.56 Favored Glycine 0 CA--C 1.525 0.696 0 N-CA-C 110.977 -0.849 . . . . 0.0 110.977 177.098 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 97.4 m -107.82 122.82 47.56 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.633 0.254 . . . . 0.0 111.318 177.73 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 65' ' ' CYS . . . . . . . . . . . . . 84.9 m -123.33 140.85 52.59 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.254 178.285 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 95.0 p -124.85 149.28 47.64 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.186 -173.063 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 57.6 tp -127.6 123.98 36.99 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.069 -0.514 . . . . 0.0 111.13 173.401 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 68.6 t60 -108.38 129.92 55.23 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.223 -179.662 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 99.2 m -104.64 114.71 29.1 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.053 -0.521 . . . . 0.0 111.154 172.102 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 82.6 m -67.41 -39.95 85.54 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.202 -175.725 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -137.46 87.32 2.26 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.298 -0.41 . . . . 0.0 111.104 -177.198 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 37.4 t -81.21 93.46 6.49 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.185 -178.14 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 43.8 p -101.08 178.1 4.76 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.127 -179.64 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 97.0 mt -62.29 -25.27 67.77 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.262 -177.763 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 98.6 m-20 -78.49 -19.31 53.3 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.203 175.349 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 68.1 m-20 -94.57 -12.77 26.86 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.206 178.511 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 57.9 t0 -55.42 128.94 36.67 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.227 172.852 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 160.55 -162.9 33.73 Favored Glycine 0 CA--C 1.524 0.598 0 N-CA-C 111.148 -0.781 . . . . 0.0 111.148 179.678 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 74.4 m-20 -107.21 106.32 16.73 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 121.03 0.443 . . . . 0.0 111.105 -173.911 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 80' ' ' TYR . . . . . . . . . . . . . 42.5 m-85 -81.71 70.8 8.68 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.001 -0.545 . . . . 0.0 111.279 177.531 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 87.7 m -65.13 134.72 54.37 Favored 'General case' 0 C--O 1.233 0.237 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.114 -170.654 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 1.4 tt -110.0 138.26 38.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.141 176.172 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 83' ' ' MET . . . . . . . . . . . . . 65.6 ttp -122.0 120.69 35.12 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.293 -176.899 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -91.66 82.52 5.27 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.078 177.153 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -95.06 118.24 31.53 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.291 -0.413 . . . . 0.0 111.197 -177.309 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 86' ' ' ASN . . . . . 0.647 ' HB2' ' CD ' ' A' ' 87' ' ' PRO . 24.8 p-10 -141.27 -179.98 1.1 Allowed Pre-proline 0 C--N 1.327 -0.376 0 CA-C-N 116.009 -0.541 . . . . 0.0 111.01 174.584 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 87' ' ' PRO . . . . . 0.647 ' CD ' ' HB2' ' A' ' 86' ' ' ASN . 75.8 Cg_exo -59.01 -24.9 75.6 Favored 'Trans proline' 0 N--CA 1.457 -0.666 0 C-N-CA 121.615 1.543 . . . . 0.0 111.307 -174.827 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 97.6 mm-40 -92.25 1.88 56.95 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.188 -172.846 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 130.61 -174.97 19.56 Favored Glycine 0 CA--C 1.522 0.519 0 N-CA-C 111.328 -0.709 . . . . 0.0 111.328 178.595 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 40.5 ptt180 -140.88 150.06 42.73 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.715 0.293 . . . . 0.0 111.237 -177.715 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 7.2 p -154.31 139.95 11.01 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.379 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.143 178.908 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 96.6 p -109.26 156.16 20.26 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.29 -0.414 . . . . 0.0 111.272 -172.399 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 93' ' ' CYS . . . . . . . . . . . . . 43.0 t -141.87 139.86 32.74 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.311 172.859 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 88.2 m -80.6 114.41 19.47 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.413 -170.4 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -85.03 65.85 3.97 Favored Glycine 0 CA--C 1.523 0.554 0 N-CA-C 111.301 -0.719 . . . . 0.0 111.301 174.712 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 80.7 ttt180 -64.89 107.94 1.62 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.603 0.239 . . . . 0.0 111.282 -174.004 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 56.5 tp -116.41 109.88 17.92 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.407 -0.36 . . . . 0.0 111.282 174.751 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 98' ' ' MET . . . . . . . . . . . . . 65.4 ttp -101.94 134.11 45.67 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.11 -179.324 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 95.0 t -110.58 129.87 64.93 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.219 0 CA-C-N 116.053 -0.521 . . . . 0.0 111.265 -174.353 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 65.0 tt0 -105.88 129.69 53.99 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.085 -0.507 . . . . 0.0 111.265 178.141 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -59.08 126.87 29.46 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.188 178.427 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 102' ' ' VAL . . . . . 0.611 ' O ' HG13 ' A' ' 102' ' ' VAL . 7.4 p -100.02 98.08 6.57 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.207 -178.473 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 99.5 m-20 -73.61 -12.22 60.68 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.203 -176.191 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 104' ' ' GLN . . . . . . . . . . . . . 89.0 mt-30 -72.09 -22.74 61.31 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.441 177.203 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 60.1 ttp180 -60.05 115.03 3.15 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.01 -0.541 . . . . 0.0 111.359 178.74 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . -69.78 -17.13 72.91 Favored Glycine 0 CA--C 1.524 0.648 0 N-CA-C 111.415 -0.674 . . . . 0.0 111.415 -178.218 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 99.9 mtt180 -89.93 -2.43 58.17 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.674 0.273 . . . . 0.0 111.107 179.833 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 42.5 t . . . . . 1 C--O 0.999 -12.102 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.244 179.512 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.523 0.577 0 N-CA-C 111.164 -0.774 . . . . 0.0 111.164 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 65.03 -125.4 30.0 Favored Glycine 0 CA--C 1.522 0.512 0 N-CA-C 111.46 -0.656 . . . . 0.0 111.46 -179.827 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 95.4 p -172.87 -27.55 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 CA-C-O 120.692 0.282 . . . . 0.0 111.263 -177.545 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 96.3 m-20 63.94 34.85 11.25 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-O 120.971 0.415 . . . . 0.0 111.298 -178.248 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -156.32 154.99 31.49 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 115.993 -0.549 . . . . 0.0 111.179 -179.169 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 83.4 m -140.06 129.0 23.43 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.218 -177.273 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -62.62 151.37 84.04 Favored Pre-proline 0 C--N 1.327 -0.386 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.185 177.963 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 33.9 Cg_endo -65.19 136.19 46.6 Favored 'Trans proline' 0 N--CA 1.459 -0.524 0 C-N-CA 121.703 1.602 . . . . 0.0 111.134 -178.167 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 90.3 t80 -151.15 122.59 7.88 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.311 -0.404 . . . . 0.0 111.23 179.996 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 84.6 m-85 -70.49 84.16 0.59 Allowed 'General case' 0 C--N 1.332 -0.185 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.184 179.955 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 21.1 pt-20 -68.63 -15.17 63.44 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.188 176.816 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 66.0 ttp -137.15 102.62 4.88 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.214 166.986 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 98.9 mttt -87.57 168.77 12.76 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.176 -173.196 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 94.9 mt -82.72 150.27 26.81 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.194 176.713 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 97.0 mttt -104.83 166.21 10.54 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.353 -0.385 . . . . 0.0 111.209 176.185 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 19.3 t-160 -66.79 110.23 3.19 Favored 'General case' 0 C--O 1.234 0.268 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.061 172.132 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 60.7 m-85 -100.57 145.8 27.9 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 116.44 -0.345 . . . . 0.0 111.284 -173.98 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 98.9 mttt -135.69 139.3 43.57 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.168 176.687 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 9.5 tp -148.3 152.33 12.56 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-N 116.099 -0.5 . . . . 0.0 111.121 -177.623 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 47.2 m-85 -79.66 145.95 32.73 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.214 172.783 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 87.4 tt0 -55.01 125.07 18.87 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.272 -176.399 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 104.17 -17.79 47.16 Favored Glycine 0 CA--C 1.524 0.618 0 N-CA-C 111.221 -0.752 . . . . 0.0 111.221 172.673 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 97.7 mmm -83.33 152.72 64.96 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 120.686 0.279 . . . . 0.0 111.414 -175.385 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 72.1 Cg_endo -74.91 152.41 41.2 Favored 'Trans proline' 0 C--N 1.327 -0.586 0 C-N-CA 121.796 1.664 . . . . 0.0 111.218 178.61 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 42.1 t -136.05 125.51 39.68 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.116 179.354 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 89.7 m -117.92 126.99 53.41 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.151 178.604 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 29.8 p90 -151.91 155.71 38.64 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.21 175.921 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 10.4 t -149.62 158.18 43.93 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.082 -171.679 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 15.4 t -140.9 144.16 35.07 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.122 -177.119 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 58.2 ttt85 -122.31 133.75 54.67 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.358 -0.383 . . . . 0.0 111.169 -175.121 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 61.0 t -121.89 125.75 73.63 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.309 -173.969 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -88.02 65.4 8.21 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.121 -0.491 . . . . 0.0 111.312 177.296 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -107.45 160.48 14.05 Favored Glycine 0 CA--C 1.521 0.446 0 N-CA-C 111.325 -0.71 . . . . 0.0 111.325 -177.597 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 34' ' ' ASN . . . . . 0.428 ' HA ' ' HA ' ' A' ' 35' ' ' PRO . 54.1 t-20 -154.87 107.43 2.32 Favored Pre-proline 0 CA--C 1.51 -0.56 0 CA-C-O 121.254 0.55 . . . . 0.0 110.982 177.069 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 35' ' ' PRO . . . . . 0.428 ' HA ' ' HA ' ' A' ' 34' ' ' ASN . 24.9 Cg_exo -74.38 166.57 82.37 Favored 'Cis proline' 0 N--CA 1.456 -0.678 0 C-N-CA 121.525 -2.281 . . . . 0.0 111.279 9.064 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 4.8 mptp? -59.39 116.32 15.83 Favored Pre-proline 0 C--N 1.331 -0.224 0 CA-C-N 116.005 -0.543 . . . . 0.0 111.055 179.384 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 37' ' ' PRO . . . . . 0.513 ' HA ' ' HB3' ' A' ' 86' ' ' ASN . 64.1 Cg_exo -57.12 151.21 52.15 Favored 'Trans proline' 0 N--CA 1.459 -0.555 0 C-N-CA 121.785 1.657 . . . . 0.0 111.095 -176.342 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 99.6 mttt -79.43 67.02 5.05 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.093 -0.503 . . . . 0.0 111.415 175.351 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 84.9 mt -42.02 122.45 0.42 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.246 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.128 -171.617 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 80.7 m-85 -109.63 145.34 36.62 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.076 -0.511 . . . . 0.0 111.253 175.944 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 41' ' ' TRP . . . . . . . . . . . . . 94.5 m95 -114.66 139.79 49.36 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.213 173.934 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 35.8 p90 -153.36 145.58 23.86 Favored 'General case' 0 C--N 1.333 -0.128 0 CA-C-N 116.099 -0.5 . . . . 0.0 111.171 170.801 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 12.4 tmtt? -109.93 109.98 20.77 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.064 -0.516 . . . . 0.0 111.101 -174.301 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 93.5 m-20 54.05 33.25 17.22 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.178 -176.08 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 95.58 1.14 62.24 Favored Glycine 0 CA--C 1.527 0.794 0 N-CA-C 111.171 -0.772 . . . . 0.0 111.171 176.662 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 97.0 mttt -94.92 100.72 12.53 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.955 0.407 . . . . 0.0 111.204 -179.277 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 66.3 tt0 -51.64 129.68 26.5 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.241 -177.527 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 96.5 mt -102.09 124.62 56.08 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.229 0 CA-C-N 116.097 -0.501 . . . . 0.0 111.256 -179.141 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 49' ' ' SER . . . . . 0.422 ' HA ' ' HD3' ' A' ' 50' ' ' PRO . 30.0 t -90.43 137.24 27.56 Favored Pre-proline 0 C--N 1.327 -0.4 0 CA-C-N 116.49 -0.323 . . . . 0.0 111.246 174.465 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 50' ' ' PRO . . . . . 0.422 ' HD3' ' HA ' ' A' ' 49' ' ' SER . 53.3 Cg_exo -54.59 138.5 75.22 Favored 'Trans proline' 0 N--CA 1.456 -0.724 0 C-N-CA 121.802 1.668 . . . . 0.0 111.24 178.152 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 98.1 mttt 57.91 56.91 4.42 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.319 -0.4 . . . . 0.0 111.346 177.503 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 14.7 t -94.97 -162.39 0.94 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.084 -0.507 . . . . 0.0 111.257 178.879 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 99.5 m-20 -55.34 -45.73 76.4 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.222 -177.784 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 54' ' ' HIS . . . . . . . . . . . . . 99.3 m-70 -136.3 -5.03 2.08 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.072 -0.513 . . . . 0.0 111.286 179.571 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 55' ' ' TYR . . . . . . . . . . . . . 22.2 m-30 -108.05 96.24 6.23 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.157 -173.283 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 97.4 m -99.84 125.54 45.81 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.177 -179.299 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 95.9 mt -110.39 122.32 64.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.317 -179.026 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 99.4 mm-40 -102.39 132.42 48.41 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.186 172.77 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 99.8 mtt180 -115.26 108.11 16.15 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.296 -174.463 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 66.8 t0 -94.29 120.75 34.98 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.15 172.141 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 95.3 mt -67.36 -12.17 59.51 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.175 -172.373 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 22.3 t70 -65.32 -22.44 66.83 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.43 -0.35 . . . . 0.0 111.016 177.689 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 123.85 17.27 3.14 Favored Glycine 0 CA--C 1.524 0.653 0 N-CA-C 111.048 -0.821 . . . . 0.0 111.048 178.484 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 88.2 m -118.11 139.54 51.1 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-O 120.736 0.303 . . . . 0.0 111.311 177.171 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 65' ' ' CYS . . . . . . . . . . . . . 13.6 t -137.18 138.06 39.83 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.974 176.685 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 37.4 t -121.38 136.96 54.9 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.112 -0.494 . . . . 0.0 111.169 -174.364 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 62.3 tp -116.95 120.15 37.54 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.237 177.838 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 81.6 t60 -111.88 126.23 54.88 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.295 -0.412 . . . . 0.0 111.187 -178.644 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 98.4 m -98.13 117.49 32.62 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.013 172.008 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 82.4 m -63.37 -44.82 93.7 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.33 -176.127 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -143.61 87.83 1.96 Allowed 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.081 -0.509 . . . . 0.0 111.123 -176.856 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 48.4 t -75.68 107.5 7.88 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.191 -176.472 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 56.3 p -106.09 179.83 4.15 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.293 179.18 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 97.5 mt -61.6 -26.4 67.96 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.289 -178.264 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 99.7 m-20 -77.7 -20.24 53.91 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.175 175.432 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 69.9 m-20 -91.62 -11.12 38.02 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.022 -0.535 . . . . 0.0 111.161 177.988 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 57.4 t0 -59.7 126.44 27.61 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.246 172.966 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 161.13 -164.24 34.76 Favored Glycine 0 CA--C 1.525 0.657 0 N-CA-C 111.194 -0.762 . . . . 0.0 111.194 -179.041 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 74.2 m-20 -105.35 109.06 20.89 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.746 0.308 . . . . 0.0 111.162 -174.206 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 80' ' ' TYR . . . . . . . . . . . . . 61.9 m-85 -82.96 70.06 9.89 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.387 177.644 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 86.3 m -65.1 134.64 54.22 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.12 -171.989 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 1.7 tt -110.06 140.0 30.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.217 176.911 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 83' ' ' MET . . . . . . . . . . . . . 66.4 ttp -124.55 120.32 31.63 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.238 -178.601 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -92.32 84.46 5.18 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.077 177.514 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -95.08 119.51 33.71 Favored 'General case' 0 C--O 1.233 0.205 0 CA-C-N 116.092 -0.504 . . . . 0.0 111.275 -176.194 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 86' ' ' ASN . . . . . 0.642 ' HB2' ' CD ' ' A' ' 87' ' ' PRO . 24.8 p-10 -141.03 179.99 1.12 Allowed Pre-proline 0 C--N 1.329 -0.313 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.191 174.43 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 87' ' ' PRO . . . . . 0.642 ' CD ' ' HB2' ' A' ' 86' ' ' ASN . 77.7 Cg_exo -59.01 -25.04 76.26 Favored 'Trans proline' 0 N--CA 1.456 -0.709 0 C-N-CA 121.7 1.6 . . . . 0.0 111.272 -175.104 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 96.8 mm-40 -93.26 4.09 54.56 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.075 -0.511 . . . . 0.0 111.25 -172.52 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 128.97 -173.27 19.43 Favored Glycine 0 CA--C 1.522 0.528 0 N-CA-C 111.237 -0.745 . . . . 0.0 111.237 178.477 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 41.0 ptt180 -142.4 152.65 43.04 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-O 120.596 0.236 . . . . 0.0 111.283 -178.178 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 7.2 p -153.4 139.07 11.52 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.181 179.16 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 98.5 p -108.22 159.8 16.33 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.257 -173.096 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 93' ' ' CYS . . . . . . . . . . . . . 50.3 t -148.99 135.55 19.52 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.305 173.3 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 88.3 m -72.76 129.97 39.41 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.325 -0.398 . . . . 0.0 111.286 -172.291 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -103.59 55.3 0.64 Allowed Glycine 0 CA--C 1.524 0.65 0 N-CA-C 111.086 -0.806 . . . . 0.0 111.086 176.934 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 79.8 ttt180 -54.05 115.8 2.23 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 120.648 0.261 . . . . 0.0 111.305 -175.539 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 55.1 tp -125.43 112.22 16.02 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.333 -0.394 . . . . 0.0 111.118 171.082 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 98' ' ' MET . . . . . . . . . . . . . 98.8 mmm -97.34 141.65 30.18 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.248 179.718 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 64.8 t -117.91 124.95 73.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.182 -177.484 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 64.0 tt0 -100.01 127.15 46.26 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 121.093 0.473 . . . . 0.0 111.172 177.462 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -60.53 121.55 12.42 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-N 116.059 -0.519 . . . . 0.0 111.22 178.333 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 102' ' ' VAL . . . . . 0.573 ' O ' HG13 ' A' ' 102' ' ' VAL . 6.3 p -100.01 99.08 7.81 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.221 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.306 -179.276 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 99.4 m-20 -74.84 -8.24 55.86 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.104 -176.452 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 104' ' ' GLN . . . . . . . . . . . . . 99.8 mm-40 -83.8 -7.9 59.35 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.325 178.79 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 61.3 ttm-85 -72.68 118.79 16.03 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.018 -0.537 . . . . 0.0 111.217 176.958 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . -71.63 -18.94 77.58 Favored Glycine 0 CA--C 1.524 0.608 0 N-CA-C 111.343 -0.703 . . . . 0.0 111.343 -177.59 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 99.8 mtt180 -90.08 -3.2 58.07 Favored 'General case' 0 C--N 1.332 -0.165 0 CA-C-O 120.849 0.357 . . . . 0.0 111.083 -179.862 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 43.3 t . . . . . 1 C--O 1.001 -12.011 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.319 -179.873 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.523 0.568 0 N-CA-C 111.265 -0.734 . . . . 0.0 111.265 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 82.55 -162.74 41.86 Favored Glycine 0 CA--C 1.524 0.648 0 N-CA-C 111.274 -0.731 . . . . 0.0 111.274 179.862 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 97.6 p -157.1 164.05 38.3 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-O 120.794 0.33 . . . . 0.0 111.145 -179.763 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 95.8 m-20 60.1 36.03 21.23 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.297 -0.411 . . . . 0.0 111.061 -179.463 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -164.96 161.95 20.29 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.261 -178.337 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 95.7 m -106.46 118.59 37.05 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.314 -0.403 . . . . 0.0 111.326 177.72 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -66.54 152.69 94.57 Favored Pre-proline 0 C--N 1.326 -0.426 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.137 -175.986 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_exo -54.97 132.73 53.96 Favored 'Trans proline' 0 N--CA 1.458 -0.595 0 C-N-CA 121.65 1.567 . . . . 0.0 111.363 178.833 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 90.2 t80 -154.16 121.44 5.73 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 120.954 0.407 . . . . 0.0 111.253 177.19 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 76.1 m-85 -69.74 87.36 0.51 Allowed 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.156 -179.976 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 16.8 pt-20 -64.82 -20.14 66.23 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.059 -0.519 . . . . 0.0 111.302 175.185 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 67.5 ttp -137.93 113.02 9.18 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 115.903 -0.59 . . . . 0.0 111.01 170.227 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 99.0 mttt -98.29 166.22 11.49 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.267 -170.196 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 94.2 mt -82.64 170.35 15.23 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.319 -0.401 . . . . 0.0 111.208 176.605 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 63.9 pttt -134.84 179.91 6.01 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.311 177.258 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 19.9 t-160 -71.96 111.34 7.13 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.09 176.206 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 77.4 m-85 -100.33 146.25 27.18 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.279 -177.184 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 99.1 mttt -133.9 138.8 45.77 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.209 178.035 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 9.9 tp -150.6 151.9 12.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.094 -178.953 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 54.2 m-85 -82.03 141.59 33.08 Favored 'General case' 0 CA--C 1.521 -0.154 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.328 172.135 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . 0.424 ' HG3' ' O ' ' A' ' 21' ' ' GLU . 14.5 pt-20 -53.48 125.03 16.54 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.38 -176.755 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 106.71 -16.99 39.75 Favored Glycine 0 CA--C 1.526 0.738 0 N-CA-C 111.118 -0.793 . . . . 0.0 111.118 173.711 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 98.0 mmm -86.47 153.62 56.1 Favored Pre-proline 0 C--N 1.327 -0.385 0 CA-C-O 120.823 0.344 . . . . 0.0 111.234 -176.741 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 73.1 Cg_endo -74.82 152.4 41.7 Favored 'Trans proline' 0 N--CA 1.457 -0.658 0 C-N-CA 121.71 1.606 . . . . 0.0 111.18 179.038 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 59.5 t -134.93 128.88 50.54 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.165 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.066 178.999 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 88.4 m -127.79 128.24 44.96 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.138 179.676 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 35.4 p90 -155.74 165.39 36.65 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.12 172.178 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 10.5 t -148.97 160.71 43.05 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.334 -170.318 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 35.5 t -147.37 141.97 26.59 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.433 -0.349 . . . . 0.0 111.163 -177.35 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 43.2 ttm180 -121.47 138.37 54.32 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.354 -0.385 . . . . 0.0 111.11 -171.202 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 87.4 t -124.96 125.1 69.05 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.082 -0.508 . . . . 0.0 111.331 -174.261 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -86.7 64.65 8.62 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.269 177.872 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -107.52 155.2 16.39 Favored Glycine 0 CA--C 1.521 0.466 0 N-CA-C 111.265 -0.734 . . . . 0.0 111.265 179.049 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 34' ' ' ASN . . . . . 0.443 ' HA ' ' HA ' ' A' ' 35' ' ' PRO . 54.1 t-20 -156.12 109.49 2.09 Favored Pre-proline 0 CA--C 1.511 -0.551 0 CA-C-O 121.183 0.516 . . . . 0.0 110.956 179.551 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 35' ' ' PRO . . . . . 0.443 ' HA ' ' HA ' ' A' ' 34' ' ' ASN . 58.1 Cg_endo -74.67 169.31 74.63 Favored 'Cis proline' 0 N--CA 1.457 -0.642 0 C-N-CA 121.58 -2.258 . . . . 0.0 111.205 5.127 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . 0.424 ' HA ' ' HD3' ' A' ' 37' ' ' PRO . 63.3 tttm -52.28 122.87 26.22 Favored Pre-proline 0 C--N 1.33 -0.257 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.067 178.906 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 37' ' ' PRO . . . . . 0.424 ' HD3' ' HA ' ' A' ' 36' ' ' LYS . 31.7 Cg_exo -61.16 162.31 20.14 Favored 'Trans proline' 0 N--CA 1.457 -0.652 0 C-N-CA 121.627 1.552 . . . . 0.0 111.262 177.951 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 99.4 mttt -78.03 69.57 4.27 Favored 'General case' 0 N--CA 1.454 -0.247 0 CA-C-O 120.916 0.388 . . . . 0.0 111.486 174.905 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 76.8 mt -70.41 135.2 28.64 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.196 0 CA-C-N 116.044 -0.526 . . . . 0.0 111.085 -171.483 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 40.3 p90 -146.82 165.72 28.84 Favored 'General case' 0 N--CA 1.456 -0.159 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.207 177.946 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 41' ' ' TRP . . . . . . . . . . . . . 70.7 m95 -113.76 150.03 34.01 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-O 121.086 0.469 . . . . 0.0 111.169 -179.226 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 39.0 p90 -152.05 145.81 25.06 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.017 -0.538 . . . . 0.0 111.313 170.064 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 12.7 tmtt? -110.16 109.87 20.53 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.233 -174.813 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 92.0 m-20 53.27 33.6 15.87 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.094 -176.615 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 97.11 -0.75 60.5 Favored Glycine 0 CA--C 1.524 0.636 0 N-CA-C 111.137 -0.785 . . . . 0.0 111.137 176.331 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 97.0 mttt -96.33 100.13 11.77 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.81 0.338 . . . . 0.0 111.06 -178.718 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 66.0 tt0 -52.34 129.87 29.52 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.318 -0.401 . . . . 0.0 111.172 -177.399 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 91.7 mt -99.32 125.27 52.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.185 -177.582 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 30.0 t -86.43 132.79 41.84 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-N 116.357 -0.383 . . . . 0.0 111.289 173.872 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 57.7 Cg_exo -55.03 140.39 80.09 Favored 'Trans proline' 0 N--CA 1.459 -0.556 0 C-N-CA 121.649 1.566 . . . . 0.0 111.191 179.324 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 98.1 mttt 57.72 57.26 4.33 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.287 177.903 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 12.2 t -94.96 -160.85 0.81 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.091 -0.504 . . . . 0.0 111.228 179.201 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 99.5 m-20 -56.43 -46.18 80.41 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.313 -0.403 . . . . 0.0 111.232 -178.152 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 54' ' ' HIS . . . . . . . . . . . . . 99.5 m-70 -136.11 -5.12 2.13 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.313 178.721 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 55' ' ' TYR . . . . . . . . . . . . . 22.1 m-30 -106.76 96.35 6.38 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.983 0.42 . . . . 0.0 111.15 -173.168 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 97.5 m -99.97 123.52 44.31 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.067 -0.515 . . . . 0.0 111.096 -179.196 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 94.6 mt -109.31 121.2 61.97 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.173 179.98 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 99.0 mm-40 -100.94 129.58 46.81 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.298 -0.41 . . . . 0.0 111.226 172.857 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 99.3 mtt180 -115.54 101.97 9.36 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.167 -175.685 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 67.6 t0 -86.77 120.66 28.3 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.365 -0.379 . . . . 0.0 111.157 174.536 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 95.2 mt -68.55 -9.84 51.94 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.029 -0.532 . . . . 0.0 111.187 -171.372 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 96.0 m-20 -65.03 -21.1 66.78 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.339 -0.392 . . . . 0.0 110.971 175.141 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 122.05 21.31 2.89 Favored Glycine 0 CA--C 1.524 0.623 0 N-CA-C 111.057 -0.817 . . . . 0.0 111.057 179.435 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 61.9 m -122.21 137.3 54.88 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 120.89 0.376 . . . . 0.0 111.194 -177.26 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 65' ' ' CYS . . . . . . . . . . . . . 97.3 m -130.01 136.31 49.25 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 116.055 -0.52 . . . . 0.0 111.088 177.824 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 37.4 t -124.56 137.31 54.41 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.017 -0.538 . . . . 0.0 111.122 -176.866 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 68.1 tp -117.22 122.08 42.99 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.164 179.711 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 79.1 t60 -115.34 124.41 51.18 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.297 -0.411 . . . . 0.0 111.351 178.756 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 94.8 m -99.45 119.66 38.35 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.05 172.07 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 82.3 m -61.95 -46.78 87.8 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.071 -0.513 . . . . 0.0 111.345 -176.337 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -144.63 88.36 1.91 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.016 -0.538 . . . . 0.0 111.107 -177.022 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 43.7 t -76.76 106.8 8.65 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.118 -177.225 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 50.6 p -104.51 179.3 4.31 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.245 -179.26 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 98.3 mt -61.26 -26.1 67.53 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 115.985 -0.552 . . . . 0.0 111.316 -178.295 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 98.8 m-20 -79.47 -17.59 53.87 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.069 -0.514 . . . . 0.0 111.071 177.049 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 68.7 m-20 -92.13 -12.01 34.09 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.273 179.072 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 56.5 t0 -55.26 128.14 32.66 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.324 175.306 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 162.24 -165.15 35.87 Favored Glycine 0 CA--C 1.523 0.582 0 N-CA-C 111.242 -0.743 . . . . 0.0 111.242 179.777 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 73.9 m-80 -105.6 108.39 19.88 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.887 0.375 . . . . 0.0 111.16 -174.281 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 80' ' ' TYR . . . . . . . . . . . . . 69.0 m-85 -85.0 70.06 10.88 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.18 178.439 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 88.7 m -68.9 135.04 50.42 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.093 -172.019 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 3.0 tt -107.51 138.77 32.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.146 175.467 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 83' ' ' MET . . . . . . . . . . . . . 59.0 ttm -125.68 129.63 49.94 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.328 -0.396 . . . . 0.0 111.364 179.377 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -98.49 65.33 1.62 Allowed 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.199 176.202 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -77.88 136.27 38.02 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.307 -175.118 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 86' ' ' ASN . . . . . 0.583 ' HB2' ' CD ' ' A' ' 87' ' ' PRO . 35.4 p30 -155.04 175.47 3.1 Favored Pre-proline 0 C--N 1.328 -0.327 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.116 171.273 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 87' ' ' PRO . . . . . 0.583 ' CD ' ' HB2' ' A' ' 86' ' ' ASN . 77.8 Cg_exo -58.02 -25.13 69.09 Favored 'Trans proline' 0 N--CA 1.455 -0.741 0 C-N-CA 121.769 1.646 . . . . 0.0 111.338 -175.725 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 96.6 mm-40 -91.01 -5.1 55.82 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.073 -0.512 . . . . 0.0 111.24 -172.974 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 142.56 177.87 18.0 Favored Glycine 0 CA--C 1.523 0.585 0 N-CA-C 111.283 -0.727 . . . . 0.0 111.283 -179.569 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 40.5 ptt180 -144.54 153.79 42.2 Favored 'General case' 0 C--O 1.234 0.286 0 CA-C-O 120.631 0.253 . . . . 0.0 111.143 -177.555 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 9.2 p -153.72 137.49 8.51 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.401 0 CA-C-N 116.314 -0.403 . . . . 0.0 111.07 177.67 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 98.7 p -111.94 155.37 23.82 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.265 -175.461 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 93' ' ' CYS . . . . . . . . . . . . . 52.8 t -143.17 127.35 17.56 Favored 'General case' 0 C--O 1.236 0.375 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.292 173.504 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 90.3 m -68.97 128.44 36.71 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.408 -0.36 . . . . 0.0 111.315 -171.667 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -101.4 55.39 0.76 Allowed Glycine 0 CA--C 1.523 0.552 0 N-CA-C 111.239 -0.744 . . . . 0.0 111.239 176.412 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 79.5 ttt180 -52.1 114.8 1.43 Allowed 'General case' 0 C--N 1.327 -0.408 0 CA-C-O 120.866 0.365 . . . . 0.0 111.205 -177.222 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 61.4 tp -123.73 109.51 13.78 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.253 171.508 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 98' ' ' MET . . . . . . . . . . . . . 98.9 mmm -97.49 140.04 32.51 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.289 -0.414 . . . . 0.0 111.15 179.731 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 59.2 t -116.91 130.02 72.5 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-N 116.123 -0.489 . . . . 0.0 111.102 -175.607 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 99.5 mm-40 -101.42 144.89 29.66 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.222 179.365 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -76.65 146.14 38.35 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.399 -178.922 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 102' ' ' VAL . . . . . . . . . . . . . 81.5 t -109.75 114.08 45.98 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.327 -0.397 . . . . 0.0 111.216 177.56 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 98.8 m-20 -68.65 -24.57 64.55 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.31 -0.404 . . . . 0.0 111.098 -173.902 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 104' ' ' GLN . . . . . . . . . . . . . 99.8 mm-40 -87.49 -9.15 55.34 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.294 -0.412 . . . . 0.0 111.297 -177.399 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 60.6 ttm-85 -80.79 117.9 21.86 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.03 -0.532 . . . . 0.0 111.38 178.895 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . -69.95 -20.7 76.4 Favored Glycine 0 CA--C 1.523 0.533 0 N-CA-C 111.401 -0.68 . . . . 0.0 111.401 -177.972 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 99.8 mtt180 -92.88 1.6 57.21 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.7 0.286 . . . . 0.0 111.066 -179.862 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 48.0 t . . . . . 1 C--O 0.999 -12.082 0 CA-C-N 116.32 -0.4 . . . . 0.0 111.189 -178.882 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.523 0.558 0 N-CA-C 111.254 -0.739 . . . . 0.0 111.254 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 55.15 -126.64 39.43 Favored Glycine 0 CA--C 1.524 0.603 0 N-CA-C 111.249 -0.741 . . . . 0.0 111.249 178.651 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 69.1 m -91.76 51.12 1.79 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.653 0.263 . . . . 0.0 111.091 175.246 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 62.5 t30 54.98 47.25 22.57 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.34 -0.391 . . . . 0.0 111.105 -178.227 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -155.0 154.99 33.38 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.068 -176.959 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 84.7 m -135.01 129.71 34.56 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.384 -177.893 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -58.66 153.43 41.21 Favored Pre-proline 0 C--N 1.326 -0.449 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.278 -178.906 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 28.6 Cg_endo -62.01 144.52 96.32 Favored 'Trans proline' 0 N--CA 1.455 -0.747 0 C-N-CA 121.678 1.586 . . . . 0.0 111.29 -179.968 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 84.4 t80 -159.99 140.18 11.68 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 120.871 0.367 . . . . 0.0 111.226 -175.209 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 79.0 m-85 -89.75 99.02 12.11 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.123 177.951 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 88.0 tt0 -57.12 -39.54 75.32 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.043 -0.526 . . . . 0.0 111.299 172.775 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 66.4 ttp -130.27 120.62 24.69 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.048 -0.523 . . . . 0.0 111.124 174.2 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 98.8 mttt -99.55 164.62 12.0 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.263 -171.851 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 96.0 mt -81.67 154.39 26.12 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.309 -179.768 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 97.4 mttt -114.97 -180.0 3.79 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.202 175.892 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 21.0 t-160 -75.03 111.67 10.49 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.119 173.586 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 68.5 m-85 -103.03 147.54 26.83 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.322 -0.399 . . . . 0.0 111.22 -174.529 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 98.9 mttt -135.48 139.91 44.41 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.286 177.307 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 10.4 tp -150.13 147.33 16.18 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.08 -179.391 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 38.5 m-85 -74.93 145.07 42.93 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.235 178.558 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 87.5 tt0 -54.71 122.16 10.08 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.15 -177.564 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 98.19 -13.1 63.49 Favored Glycine 0 CA--C 1.523 0.561 0 N-CA-C 111.261 -0.736 . . . . 0.0 111.261 173.267 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 97.8 mmm -88.23 152.47 50.32 Favored Pre-proline 0 C--N 1.33 -0.27 0 CA-C-O 120.844 0.354 . . . . 0.0 111.292 -176.164 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 74.3 Cg_endo -74.31 150.49 41.86 Favored 'Trans proline' 0 N--CA 1.457 -0.626 0 C-N-CA 121.769 1.646 . . . . 0.0 111.31 177.344 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 8.3 p -149.32 134.82 11.18 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.38 0 CA-C-N 116.275 -0.421 . . . . 0.0 111.135 176.618 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 85.2 m -120.86 134.46 55.29 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.087 -179.37 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 34.4 p90 -150.17 154.67 38.41 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.193 173.799 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 11.9 t -146.24 160.01 42.56 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.343 -166.9 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 29' ' ' CYS . . . . . 0.425 ' SG ' HD13 ' A' ' 82' ' ' ILE . 49.8 t -148.28 150.47 33.71 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.342 -0.39 . . . . 0.0 111.175 -178.701 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 59.1 ttt85 -125.42 132.08 52.8 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.286 -0.415 . . . . 0.0 111.121 -172.721 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 35.9 m -109.72 155.15 10.99 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.242 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.242 176.557 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -145.12 76.81 1.5 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.069 -0.514 . . . . 0.0 111.298 179.68 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -120.76 -167.3 13.3 Favored Glycine 0 CA--C 1.522 0.504 0 N-CA-C 111.344 -0.703 . . . . 0.0 111.344 177.765 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 34' ' ' ASN . . . . . 0.496 ' HA ' ' HA ' ' A' ' 35' ' ' PRO . 54.1 t-20 -155.18 106.12 2.25 Favored Pre-proline 0 CA--C 1.511 -0.555 0 CA-C-O 121.194 0.521 . . . . 0.0 110.942 179.142 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 35' ' ' PRO . . . . . 0.496 ' HA ' ' HA ' ' A' ' 34' ' ' ASN . 26.2 Cg_exo -69.65 156.37 92.53 Favored 'Cis proline' 0 N--CA 1.457 -0.656 0 C-N-CA 121.405 -2.331 . . . . 0.0 111.377 3.838 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . 0.407 ' HA ' ' HD3' ' A' ' 37' ' ' PRO . 98.9 mttt -55.76 125.21 60.9 Favored Pre-proline 0 C--N 1.33 -0.279 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.146 178.385 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 37' ' ' PRO . . . . . 0.635 ' HA ' ' HB3' ' A' ' 86' ' ' ASN . 77.7 Cg_exo -56.56 144.91 83.38 Favored 'Trans proline' 0 N--CA 1.457 -0.638 0 C-N-CA 121.783 1.656 . . . . 0.0 111.188 -176.272 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 98.7 mttt -88.76 100.03 12.82 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.29 173.872 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 86.2 mt -64.28 117.14 4.47 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.328 -0.396 . . . . 0.0 111.027 -171.899 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 82.5 m-85 -111.73 148.29 33.8 Favored 'General case' 0 C--O 1.234 0.242 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.23 172.738 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 41' ' ' TRP . . . . . . . . . . . . . 91.4 m95 -116.1 140.18 49.54 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.187 179.006 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 46.5 p90 -152.52 147.54 26.33 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.255 169.603 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 11.2 tmtt? -110.01 108.56 18.84 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.188 -173.382 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 60.4 m-20 45.49 42.66 8.11 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.301 -0.409 . . . . 0.0 111.134 -176.795 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 98.18 -2.88 59.77 Favored Glycine 0 CA--C 1.523 0.584 0 N-CA-C 111.189 -0.764 . . . . 0.0 111.189 173.333 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 96.0 mttt -98.56 97.83 9.08 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.811 0.339 . . . . 0.0 111.239 -177.301 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 66.4 tt0 -51.3 129.72 25.36 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.318 -179.116 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 94.2 mt -100.73 124.11 54.12 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.284 -0.417 . . . . 0.0 111.197 -178.084 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 49' ' ' SER . . . . . 0.408 ' HA ' ' HD3' ' A' ' 50' ' ' PRO . 29.5 t -92.05 135.89 26.64 Favored Pre-proline 0 C--N 1.328 -0.346 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.198 175.735 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 50' ' ' PRO . . . . . 0.408 ' HD3' ' HA ' ' A' ' 49' ' ' SER . 50.7 Cg_exo -54.95 143.56 71.93 Favored 'Trans proline' 0 N--CA 1.456 -0.701 0 C-N-CA 121.739 1.626 . . . . 0.0 111.173 176.813 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 98.2 mttt 57.57 53.02 7.7 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.175 176.757 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 13.9 t -94.9 -162.0 0.91 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.101 -0.5 . . . . 0.0 111.159 178.552 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 99.4 m-20 -55.78 -46.95 77.83 Favored 'General case' 0 N--CA 1.454 -0.257 0 CA-C-O 121.039 0.447 . . . . 0.0 111.326 -177.999 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 54' ' ' HIS . . . . . . . . . . . . . 99.2 m-70 -136.15 -5.02 2.12 Favored 'General case' 0 C--O 1.234 0.285 0 CA-C-N 115.993 -0.549 . . . . 0.0 111.255 179.39 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 55' ' ' TYR . . . . . . . . . . . . . 22.3 m-30 -105.19 105.23 15.17 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.073 -173.278 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 98.5 m -106.53 124.62 49.88 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.165 179.028 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 95.7 mt -111.01 122.05 64.79 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 CA-C-N 116.356 -0.384 . . . . 0.0 111.198 179.472 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 97.2 mm-40 -115.16 105.0 12.41 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.081 -0.509 . . . . 0.0 111.273 174.617 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 40.4 ttm105 -100.89 100.02 10.6 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.115 -175.375 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 65.8 t0 -73.64 130.76 40.69 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.06 -0.518 . . . . 0.0 111.206 173.496 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 95.0 mt -66.79 -14.61 62.82 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.189 -174.26 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 22.0 t70 -63.53 -28.02 69.66 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.424 -0.353 . . . . 0.0 111.167 178.105 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 133.33 -4.59 4.87 Favored Glycine 0 CA--C 1.525 0.671 0 N-CA-C 111.109 -0.796 . . . . 0.0 111.109 175.869 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 98.8 m -101.46 134.59 44.32 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.862 0.363 . . . . 0.0 111.27 178.034 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 65' ' ' CYS . . . . . . . . . . . . . 48.6 t -134.8 132.44 38.69 Favored 'General case' 0 C--O 1.235 0.303 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.166 175.848 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 29.5 t -108.63 140.03 42.57 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.341 -0.39 . . . . 0.0 111.276 -177.615 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 64.9 tp -113.46 119.53 37.9 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.996 -0.547 . . . . 0.0 111.117 172.101 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 70.4 t60 -110.62 129.95 55.69 Favored 'General case' 0 C--N 1.332 -0.165 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.155 179.819 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 94.8 m -105.91 118.57 36.95 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.078 -0.51 . . . . 0.0 111.117 172.121 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 80.5 m -65.74 -43.6 88.51 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.229 -175.56 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -142.82 85.93 1.91 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.068 -0.514 . . . . 0.0 111.138 -176.677 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 48.1 t -78.38 107.35 10.95 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.176 -177.269 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 54.0 p -105.61 178.34 4.59 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.066 -0.515 . . . . 0.0 111.129 -179.809 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 95.5 mt -61.79 -25.59 67.58 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.216 -178.413 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 98.7 m-20 -76.44 -20.25 57.25 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.171 174.56 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 67.8 m-20 -92.16 -17.06 25.43 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.245 177.675 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 57.6 t0 -54.73 130.18 39.66 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.379 -0.373 . . . . 0.0 111.201 175.269 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 160.58 -148.84 17.55 Favored Glycine 0 CA--C 1.523 0.56 0 N-CA-C 111.139 -0.784 . . . . 0.0 111.139 179.174 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 44.4 m-80 -119.99 105.37 10.98 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.961 0.41 . . . . 0.0 111.145 -171.041 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 80' ' ' TYR . . . . . . . . . . . . . 32.0 m-85 -84.87 70.47 10.87 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.076 -0.511 . . . . 0.0 111.213 -179.301 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 87.0 m -63.02 133.67 54.93 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.168 -171.792 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 82' ' ' ILE . . . . . 0.425 HD13 ' SG ' ' A' ' 29' ' ' CYS . 6.0 tt -104.59 140.09 23.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.31 -0.405 . . . . 0.0 111.146 177.287 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 83' ' ' MET . . . . . . . . . . . . . 63.6 tpp -119.44 119.91 35.3 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.38 -0.373 . . . . 0.0 111.35 -177.44 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -88.45 71.89 8.93 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.031 174.717 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -83.16 125.07 31.13 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.273 -176.026 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 86' ' ' ASN . . . . . 0.635 ' HB3' ' HA ' ' A' ' 37' ' ' PRO . 27.3 p-10 -147.62 177.94 1.61 Allowed Pre-proline 0 C--N 1.329 -0.313 0 CA-C-N 116.049 -0.523 . . . . 0.0 111.102 173.324 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 87' ' ' PRO . . . . . 0.608 ' CD ' ' HB2' ' A' ' 86' ' ' ASN . 70.7 Cg_exo -59.17 -24.93 76.13 Favored 'Trans proline' 0 N--CA 1.457 -0.642 0 C-N-CA 121.571 1.514 . . . . 0.0 111.263 -175.136 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 96.9 mm-40 -94.49 1.96 55.72 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.068 -171.153 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 137.37 -162.14 25.36 Favored Glycine 0 CA--C 1.523 0.559 0 N-CA-C 111.319 -0.712 . . . . 0.0 111.319 179.362 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 40.8 ptt180 -152.36 145.59 24.68 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.71 0.291 . . . . 0.0 111.172 178.356 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 60.6 t -134.24 130.17 54.18 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.185 177.206 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 90.7 p -95.3 157.31 15.95 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.293 -179.429 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 93' ' ' CYS . . . . . . . . . . . . . 51.8 t -150.73 129.99 12.79 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.169 170.831 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 89.2 m -66.83 127.5 32.71 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.247 -172.828 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -100.03 57.02 0.82 Allowed Glycine 0 CA--C 1.524 0.613 0 N-CA-C 111.165 -0.774 . . . . 0.0 111.165 175.772 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 80.1 ttt180 -52.95 113.45 1.1 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.763 0.316 . . . . 0.0 111.304 -176.231 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 63.8 tp -123.83 110.22 14.6 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.102 172.343 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 98' ' ' MET . . . . . . . . . . . . . 98.8 mmm -97.17 144.3 27.14 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.251 179.904 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 96.5 t -114.44 130.2 69.16 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.385 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.22 -177.167 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 96.5 mm-40 -102.06 153.73 19.63 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.118 -174.758 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -73.15 146.47 45.62 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.184 178.716 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 102' ' ' VAL . . . . . . . . . . . . . 78.7 t -103.09 120.83 53.52 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.2 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.249 -179.822 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 99.0 m-20 -65.8 -28.14 68.79 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.206 -173.513 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 104' ' ' GLN . . . . . . . . . . . . . 99.8 mm-40 -87.16 -7.77 57.63 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-O 121.071 0.462 . . . . 0.0 111.55 -178.67 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 61.1 ttm-85 -78.45 115.34 18.09 Favored 'General case' 0 C--N 1.333 -0.147 0 CA-C-N 115.894 -0.594 . . . . 0.0 111.322 178.619 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . -69.51 -18.9 74.1 Favored Glycine 0 CA--C 1.522 0.507 0 N-CA-C 111.289 -0.725 . . . . 0.0 111.289 -177.97 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 99.9 mtt180 -90.56 -2.02 57.89 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.843 0.354 . . . . 0.0 111.159 -179.882 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 43.2 t . . . . . 1 C--O 1.0 -12.053 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.238 -179.864 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.523 0.558 0 N-CA-C 111.23 -0.748 . . . . 0.0 111.23 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 65.03 -126.29 31.34 Favored Glycine 0 CA--C 1.523 0.567 0 N-CA-C 111.283 -0.727 . . . . 0.0 111.283 179.717 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 26.8 t -144.9 84.91 1.74 Allowed 'General case' 0 C--N 1.326 -0.441 0 CA-C-O 120.765 0.317 . . . . 0.0 111.333 179.374 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 62.6 t30 55.0 45.86 25.5 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.331 -0.395 . . . . 0.0 111.116 -179.758 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -155.0 154.96 33.33 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.09 -0.504 . . . . 0.0 111.137 -178.606 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 85.3 m -139.89 127.29 21.4 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.325 -178.266 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -65.45 150.48 95.84 Favored Pre-proline 0 C--N 1.325 -0.457 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.273 179.654 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 57.7 Cg_exo -55.0 135.8 70.24 Favored 'Trans proline' 0 N--CA 1.458 -0.61 0 C-N-CA 121.768 1.645 . . . . 0.0 111.209 179.535 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 90.0 t80 -154.27 123.87 6.62 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.37 -0.377 . . . . 0.0 111.192 178.469 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 72.1 m-85 -70.1 86.19 0.55 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.099 179.899 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 15.7 pt-20 -65.0 -21.33 66.83 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.269 172.112 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 67.1 ttp -133.34 113.52 12.67 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.086 -0.507 . . . . 0.0 111.118 168.287 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 99.0 mttt -96.75 165.89 11.91 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.259 -170.613 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 96.2 mt -83.39 171.89 13.03 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.14 177.183 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 64.1 pttt -134.9 178.85 6.7 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.176 175.336 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 18.0 t-160 -72.33 108.21 5.33 Favored 'General case' 0 C--O 1.234 0.245 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.123 174.618 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 85.7 m-85 -95.26 143.98 26.21 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.487 -0.324 . . . . 0.0 111.285 -175.79 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 98.9 mttt -134.77 139.28 45.02 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.103 -0.499 . . . . 0.0 111.098 177.459 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 10.4 tp -149.0 150.46 13.97 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.101 -0.5 . . . . 0.0 111.157 -178.364 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 38.3 m-85 -79.0 145.06 34.13 Favored 'General case' 0 C--O 1.232 0.161 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.295 173.582 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 86.9 tt0 -55.09 124.92 18.42 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.312 -0.404 . . . . 0.0 111.075 -177.159 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 102.45 -16.36 55.15 Favored Glycine 0 CA--C 1.524 0.599 0 N-CA-C 111.199 -0.76 . . . . 0.0 111.199 173.378 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 98.1 mmm -85.03 153.99 60.35 Favored Pre-proline 0 C--N 1.328 -0.354 0 CA-C-O 120.712 0.292 . . . . 0.0 111.352 -176.184 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 72.3 Cg_endo -75.42 154.2 40.37 Favored 'Trans proline' 0 C--N 1.326 -0.617 0 C-N-CA 121.752 1.635 . . . . 0.0 111.265 179.495 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 59.3 t -133.19 124.96 50.45 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-N 116.324 -0.398 . . . . 0.0 111.206 178.045 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 91.4 m -127.63 123.42 35.57 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.094 -179.069 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 52.0 p90 -157.84 164.98 36.42 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.071 -0.513 . . . . 0.0 111.202 172.581 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 12.5 t -145.89 161.26 40.42 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.237 -171.233 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 11.5 t -139.45 148.89 43.36 Favored 'General case' 0 C--O 1.234 0.264 0 CA-C-N 116.354 -0.384 . . . . 0.0 111.312 179.99 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 78.3 ttt180 -132.96 138.92 47.06 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-O 120.843 0.354 . . . . 0.0 111.219 -174.218 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 30.8 m -124.7 148.81 28.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.092 -0.503 . . . . 0.0 111.177 -179.881 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -99.15 65.02 1.41 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.25 174.797 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -104.61 160.49 15.56 Favored Glycine 0 CA--C 1.522 0.531 0 N-CA-C 111.201 -0.76 . . . . 0.0 111.201 -174.941 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 34' ' ' ASN . . . . . 0.445 ' HA ' ' C ' ' A' ' 35' ' ' PRO . 54.2 t-20 -156.23 107.05 2.06 Favored Pre-proline 0 CA--C 1.511 -0.545 0 CA-C-O 121.131 0.491 . . . . 0.0 110.937 177.719 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 35' ' ' PRO . . . . . 0.445 ' C ' ' HA ' ' A' ' 34' ' ' ASN . 24.5 Cg_exo -74.49 165.55 85.2 Favored 'Cis proline' 0 N--CA 1.457 -0.639 0 C-N-CA 121.539 -2.275 . . . . 0.0 111.28 9.306 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . 0.461 ' HD2' ' N ' ' A' ' 36' ' ' LYS . 4.2 mptp? -59.91 115.45 12.99 Favored Pre-proline 0 C--N 1.328 -0.358 0 CA-C-N 116.045 -0.525 . . . . 0.0 111.057 -179.065 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 37' ' ' PRO . . . . . 0.483 ' HA ' ' HB3' ' A' ' 86' ' ' ASN . 52.7 Cg_exo -57.13 145.39 86.66 Favored 'Trans proline' 0 N--CA 1.46 -0.478 0 C-N-CA 121.559 1.506 . . . . 0.0 111.262 -177.945 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 99.7 mttt -80.83 69.7 7.44 Favored 'General case' 0 N--CA 1.455 -0.194 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.536 176.223 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 88.1 mt -42.6 122.18 0.45 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.085 -0.507 . . . . 0.0 111.202 -172.86 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 75.3 m-85 -109.64 150.01 28.87 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.124 174.705 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 41' ' ' TRP . . . . . . . . . . . . . 92.2 m95 -115.86 141.67 47.79 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.089 -0.505 . . . . 0.0 111.12 173.111 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 42' ' ' PHE . . . . . 0.401 ' HB3' ' HA ' ' A' ' 47' ' ' GLN . 40.6 p90 -150.52 146.17 26.43 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.088 -0.505 . . . . 0.0 111.326 171.034 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 12.3 tmtt? -109.98 110.0 20.78 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.193 -172.581 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 89.3 m-20 53.9 33.36 17.08 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.068 -176.565 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 96.58 -0.8 61.51 Favored Glycine 0 CA--C 1.525 0.688 0 N-CA-C 111.154 -0.778 . . . . 0.0 111.154 176.787 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 96.9 mttt -95.07 100.04 11.93 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.834 0.349 . . . . 0.0 111.234 -178.367 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 47' ' ' GLN . . . . . 0.401 ' HA ' ' HB3' ' A' ' 42' ' ' PHE . 66.3 tt0 -51.09 127.31 18.74 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.248 -178.474 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 95.0 mt -96.93 124.95 50.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.278 -178.924 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 49' ' ' SER . . . . . 0.423 ' HA ' ' HD3' ' A' ' 50' ' ' PRO . 30.3 t -84.34 130.23 54.8 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-N 116.393 -0.367 . . . . 0.0 111.221 174.289 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 50' ' ' PRO . . . . . 0.423 ' HD3' ' HA ' ' A' ' 49' ' ' SER . 52.9 Cg_exo -54.82 139.89 78.05 Favored 'Trans proline' 0 N--CA 1.456 -0.693 0 C-N-CA 121.587 1.525 . . . . 0.0 111.209 178.006 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 98.1 mttt 58.65 54.68 5.19 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.112 -0.495 . . . . 0.0 111.192 177.593 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 14.9 t -94.9 -162.08 0.92 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.189 178.831 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 99.6 m-20 -55.62 -45.36 77.54 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.224 -177.439 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 54' ' ' HIS . . . . . . . . . . . . . 99.7 m-70 -136.16 -5.0 2.12 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.069 -0.514 . . . . 0.0 111.176 -179.634 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 55' ' ' TYR . . . . . . . . . . . . . 22.0 m-30 -108.54 96.27 6.23 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 120.991 0.424 . . . . 0.0 111.079 -173.103 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 98.3 m -98.24 124.89 43.08 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.115 179.914 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 95.9 mt -115.3 128.15 72.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.194 179.063 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 68.7 tp60 -122.39 110.03 15.14 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.217 177.003 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 41.6 ttm105 -100.77 100.02 10.63 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.332 -0.395 . . . . 0.0 111.211 -174.511 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 67.3 t0 -71.08 123.68 22.68 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.303 170.061 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 98.2 mt -74.59 -1.14 20.24 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.055 -0.52 . . . . 0.0 111.19 -170.205 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 96.7 m-20 -74.54 -14.16 60.76 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.353 -0.385 . . . . 0.0 110.977 174.0 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 121.1 21.81 3.05 Favored Glycine 0 CA--C 1.522 0.506 0 N-CA-C 111.098 -0.801 . . . . 0.0 111.098 177.284 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 63.9 m -129.24 140.02 51.62 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.767 0.318 . . . . 0.0 111.264 -178.695 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 65' ' ' CYS . . . . . . . . . . . . . 48.6 t -140.02 131.31 26.68 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.18 178.617 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 30.1 t -108.71 141.26 40.96 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.124 -177.971 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 61.1 tp -115.78 123.13 47.47 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.133 175.114 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 79.4 t60 -117.17 122.81 45.08 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.284 179.158 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 96.3 m -99.6 119.84 38.72 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.291 171.455 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 84.2 m -63.5 -46.4 86.26 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.331 -0.395 . . . . 0.0 111.303 -176.006 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -144.8 88.44 1.91 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.046 -176.448 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 47.2 t -76.57 110.05 10.82 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.033 -177.076 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 52.6 p -110.08 179.94 3.96 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.06 -0.518 . . . . 0.0 111.182 179.788 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 97.6 mt -61.93 -26.75 68.37 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.277 -178.536 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 98.7 m-20 -77.02 -17.89 58.52 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 116.091 -0.504 . . . . 0.0 111.094 175.486 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 68.2 m-20 -93.97 -15.58 24.75 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.125 178.287 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 57.2 t0 -54.85 128.46 33.24 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.12 175.353 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 161.5 -164.22 34.96 Favored Glycine 0 CA--C 1.523 0.594 0 N-CA-C 111.24 -0.744 . . . . 0.0 111.24 179.804 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 74.6 m-80 -105.04 107.62 18.69 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-O 120.894 0.378 . . . . 0.0 111.139 -174.238 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 80' ' ' TYR . . . . . . . . . . . . . 51.1 m-85 -84.65 70.37 10.76 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.062 -0.517 . . . . 0.0 111.266 178.383 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 85.8 m -64.49 133.86 53.28 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-N 116.303 -0.408 . . . . 0.0 111.216 -171.596 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 3.9 tt -104.59 142.63 17.56 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.062 178.102 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 83' ' ' MET . . . . . . . . . . . . . 67.8 ttp -132.84 117.17 17.41 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.364 178.919 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -93.1 90.77 7.02 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.317 -0.401 . . . . 0.0 111.17 178.904 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -98.15 126.64 43.7 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.219 -174.383 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 86' ' ' ASN . . . . . 0.629 ' HB2' ' CD ' ' A' ' 87' ' ' PRO . 22.8 p-10 -141.8 179.88 1.12 Allowed Pre-proline 0 C--N 1.328 -0.35 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.205 172.422 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 87' ' ' PRO . . . . . 0.629 ' CD ' ' HB2' ' A' ' 86' ' ' ASN . 78.4 Cg_exo -59.12 -25.94 79.86 Favored 'Trans proline' 0 N--CA 1.457 -0.664 0 C-N-CA 121.743 1.628 . . . . 0.0 111.262 -175.179 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 97.6 mm-40 -92.38 -4.99 52.99 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.255 -170.626 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 141.9 -165.22 26.61 Favored Glycine 0 CA--C 1.524 0.618 0 N-CA-C 111.192 -0.763 . . . . 0.0 111.192 -179.58 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 41.2 ptt180 -150.02 159.93 44.02 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 120.596 0.236 . . . . 0.0 111.181 -179.418 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 14.8 p -151.77 139.83 14.12 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.337 -0.392 . . . . 0.0 111.09 178.185 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 69.3 m -118.45 153.25 34.43 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.154 -171.767 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 93' ' ' CYS . . . . . . . . . . . . . 50.4 t -150.01 136.26 18.86 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.24 175.266 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 89.2 m -69.57 128.95 38.29 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.301 -0.409 . . . . 0.0 111.217 -174.298 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -101.82 55.99 0.71 Allowed Glycine 0 CA--C 1.523 0.533 0 N-CA-C 111.174 -0.77 . . . . 0.0 111.174 176.726 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 79.8 ttt180 -52.86 115.48 1.85 Allowed 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 120.637 0.256 . . . . 0.0 111.219 -176.836 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 60.6 tp -124.39 109.99 13.99 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.264 -0.425 . . . . 0.0 111.104 172.04 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 98' ' ' MET . . . . . . . . . . . . . 98.8 mmm -97.72 141.8 30.29 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.373 -179.796 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 68.0 t -116.97 125.03 73.65 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.431 0 CA-C-N 116.288 -0.414 . . . . 0.0 111.301 -177.031 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 64.1 tt0 -100.06 130.08 46.18 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.162 177.857 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -65.05 143.31 58.01 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.14 178.875 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 102' ' ' VAL . . . . . . . . . . . . . 77.8 t -88.57 111.07 22.0 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.211 -177.002 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 99.4 m-20 -73.29 -16.13 61.39 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.224 -174.891 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 104' ' ' GLN . . . . . . . . . . . . . 99.8 mm-40 -87.81 -4.96 58.84 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.303 179.392 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 105' ' ' ARG . . . . . 0.401 ' HG2' ' H ' ' A' ' 107' ' ' ARG . 48.0 ttp180 -88.65 126.44 35.3 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.979 -0.555 . . . . 0.0 111.184 -179.935 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . -70.83 -17.06 74.91 Favored Glycine 0 CA--C 1.525 0.704 0 N-CA-C 111.307 -0.717 . . . . 0.0 111.307 -179.243 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 107' ' ' ARG . . . . . 0.401 ' H ' ' HG2' ' A' ' 105' ' ' ARG . 99.8 mtt180 -90.65 -4.73 56.57 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.789 0.328 . . . . 0.0 111.175 -179.75 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 41.7 t . . . . . 1 C--O 1.001 -12.018 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.184 179.98 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.523 0.559 0 N-CA-C 111.22 -0.752 . . . . 0.0 111.22 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 74.95 -114.98 4.52 Favored Glycine 0 CA--C 1.525 0.682 0 N-CA-C 111.231 -0.747 . . . . 0.0 111.231 179.966 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 45.2 t -135.08 -105.02 0.22 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.717 0.294 . . . . 0.0 111.164 179.782 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 60.7 t30 56.95 45.13 21.81 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-O 120.842 0.353 . . . . 0.0 111.102 -178.927 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -159.37 154.99 25.93 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.222 -179.075 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 13.7 t -160.05 178.24 9.9 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.274 -177.138 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -65.55 142.21 98.22 Favored Pre-proline 0 C--N 1.327 -0.4 0 CA-C-N 116.298 -0.41 . . . . 0.0 111.142 179.722 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 60.1 Cg_endo -73.78 154.01 48.58 Favored 'Trans proline' 0 N--CA 1.457 -0.675 0 C-N-CA 121.655 1.57 . . . . 0.0 111.233 -177.437 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 55.6 p90 -155.01 154.53 32.65 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.329 -0.396 . . . . 0.0 111.047 175.69 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 71.9 m-85 -80.44 121.26 25.51 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.078 -174.854 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 87.4 tt0 -77.06 -30.13 55.44 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.152 167.738 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 68.3 ttp -145.0 113.02 6.42 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.258 177.076 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 99.3 mttt -92.12 168.7 11.18 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.375 -172.04 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 97.6 mt -81.18 171.52 14.79 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.299 176.022 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 64.0 pttt -135.23 179.66 6.19 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.353 175.994 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 18.1 t-160 -71.69 107.22 4.41 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.198 175.599 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 80.3 m-85 -95.92 145.11 25.66 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.271 -176.895 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 98.9 mttt -133.96 139.6 46.21 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.149 176.853 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 10.8 tp -148.88 150.0 14.44 Favored 'Isoleucine or valine' 0 C--O 1.233 0.222 0 CA-C-N 116.056 -0.52 . . . . 0.0 111.205 -179.658 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 16.5 m-30 -75.59 144.84 41.58 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.31 -0.405 . . . . 0.0 111.42 172.154 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 85.1 tt0 -54.91 125.77 21.66 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.275 -0.421 . . . . 0.0 111.1 -176.984 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 101.19 -14.45 58.33 Favored Glycine 0 CA--C 1.525 0.687 0 N-CA-C 111.138 -0.785 . . . . 0.0 111.138 171.404 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 88.6 mtp -86.21 155.13 57.66 Favored Pre-proline 0 C--N 1.326 -0.417 0 CA-C-O 120.885 0.374 . . . . 0.0 111.288 -177.056 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 72.7 Cg_endo -75.16 154.99 42.15 Favored 'Trans proline' 0 N--CA 1.458 -0.562 0 C-N-CA 121.638 1.559 . . . . 0.0 111.15 179.457 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 61.9 t -133.31 125.6 51.15 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.147 178.112 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 87.6 m -124.5 122.96 39.05 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.117 -179.11 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 47.1 p90 -155.22 168.14 28.05 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.171 172.119 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 13.4 t -148.38 157.64 43.6 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.175 -173.446 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 12.5 t -139.53 143.89 37.63 Favored 'General case' 0 C--O 1.234 0.269 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.187 -178.868 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 60.3 ttt85 -120.3 129.77 54.16 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.39 -0.368 . . . . 0.0 111.256 -174.793 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . 0.424 HG21 ' HB2' ' A' ' 84' ' ' ALA . 71.6 t -118.95 124.74 73.68 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.395 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.311 179.863 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -94.16 64.97 3.33 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.042 -0.526 . . . . 0.0 111.295 178.826 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -95.79 171.49 28.9 Favored Glycine 0 CA--C 1.523 0.543 0 N-CA-C 111.136 -0.785 . . . . 0.0 111.136 -176.462 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 34' ' ' ASN . . . . . 0.482 ' HA ' ' HA ' ' A' ' 35' ' ' PRO . 54.2 t-20 -161.26 106.51 1.23 Allowed Pre-proline 0 CA--C 1.511 -0.555 0 CA-C-O 121.208 0.528 . . . . 0.0 110.927 -178.424 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 35' ' ' PRO . . . . . 0.482 ' HA ' ' HA ' ' A' ' 34' ' ' ASN . 23.7 Cg_exo -74.37 168.21 77.61 Favored 'Cis proline' 0 N--CA 1.458 -0.603 0 C-N-CA 121.575 -2.26 . . . . 0.0 111.096 7.844 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 69.0 mmtt -52.68 114.54 5.85 Favored Pre-proline 0 C--N 1.332 -0.186 0 CA-C-N 116.059 -0.519 . . . . 0.0 111.199 178.489 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 35.1 Cg_exo -63.51 157.51 50.59 Favored 'Trans proline' 0 N--CA 1.46 -0.457 0 C-N-CA 121.495 1.463 . . . . 0.0 111.178 -177.447 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 98.7 mttt -88.72 70.26 8.75 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.332 174.29 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 95.4 mt -42.39 121.9 0.42 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.061 -0.518 . . . . 0.0 111.22 -173.047 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 76.2 m-85 -109.96 151.05 27.61 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.303 -0.408 . . . . 0.0 111.235 174.769 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 41' ' ' TRP . . . . . . . . . . . . . 86.1 m95 -119.74 141.82 49.1 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.255 174.265 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 38.8 p90 -152.31 146.25 25.23 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.087 -0.506 . . . . 0.0 111.298 172.026 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 11.8 tmtt? -109.96 109.99 20.77 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.127 -174.723 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 95.8 m-20 54.54 31.48 14.99 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.195 -176.493 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 103.77 -19.5 44.17 Favored Glycine 0 CA--C 1.524 0.605 0 N-CA-C 111.217 -0.753 . . . . 0.0 111.217 177.343 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 88.1 tttt -79.67 109.97 14.57 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 120.77 0.319 . . . . 0.0 111.234 -176.753 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 65.8 tt0 -58.1 130.1 45.05 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.205 -177.995 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 91.3 mt -99.42 124.9 53.02 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.319 -0.4 . . . . 0.0 111.21 -179.392 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 49' ' ' SER . . . . . 0.418 ' HA ' ' HD3' ' A' ' 50' ' ' PRO . 30.1 t -89.2 134.11 33.74 Favored Pre-proline 0 C--N 1.326 -0.418 0 CA-C-N 116.399 -0.364 . . . . 0.0 111.185 174.175 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 50' ' ' PRO . . . . . 0.418 ' HD3' ' HA ' ' A' ' 49' ' ' SER . 63.7 Cg_exo -54.03 136.18 66.22 Favored 'Trans proline' 0 N--CA 1.456 -0.698 0 C-N-CA 121.646 1.564 . . . . 0.0 111.223 178.341 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 97.7 mttt 59.17 57.97 3.26 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.341 -0.39 . . . . 0.0 111.258 179.067 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 15.0 t -95.02 -160.81 0.81 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.171 178.537 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 99.0 m-20 -54.27 -45.55 72.47 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.182 -177.983 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 54' ' ' HIS . . . . . . . . . . . . . 99.5 m-70 -137.36 -5.19 1.83 Allowed 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.276 179.017 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 55' ' ' TYR . . . . . . . . . . . . . 22.0 m-30 -106.42 95.86 6.06 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 121.196 0.522 . . . . 0.0 111.058 -171.777 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 98.1 m -97.38 119.6 36.21 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.093 -179.781 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 96.9 mt -105.68 127.18 60.81 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.208 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.337 177.724 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 87.1 mt-30 -119.95 100.46 7.24 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.3 -0.409 . . . . 0.0 111.258 175.077 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 55.3 ttp180 -101.47 117.76 35.58 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.191 -173.598 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 65.6 t0 -100.56 132.56 45.89 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.322 -0.399 . . . . 0.0 111.201 176.784 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 95.3 mt -65.0 -16.47 63.47 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.265 -177.518 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 33.6 t70 -56.89 -33.26 66.72 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.323 -0.399 . . . . 0.0 111.143 175.496 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 133.54 -10.81 4.95 Favored Glycine 0 CA--C 1.522 0.523 0 N-CA-C 111.107 -0.797 . . . . 0.0 111.107 177.293 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 99.5 m -99.27 130.56 45.57 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.876 0.37 . . . . 0.0 111.282 178.495 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 65' ' ' CYS . . . . . . . . . . . . . 42.7 t -132.4 129.92 39.97 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.113 177.019 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 63.2 m -105.92 148.54 27.51 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.241 -175.333 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 61.5 tp -125.83 120.86 31.64 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.234 173.497 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 82.4 t60 -113.84 123.7 50.44 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.261 179.064 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 95.8 m -98.86 119.91 38.41 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.099 -0.5 . . . . 0.0 111.07 171.837 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 79.0 m -65.1 -44.99 87.01 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.183 -175.676 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -144.65 88.38 1.91 Allowed 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 116.299 -0.409 . . . . 0.0 111.196 -176.106 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 46.6 t -78.9 106.94 11.28 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.205 -177.512 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 51.1 p -109.16 -179.17 3.77 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.157 -179.96 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 97.4 mt -60.76 -28.44 68.72 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.01 -0.541 . . . . 0.0 111.129 -178.379 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 98.8 m-20 -76.74 -17.61 58.97 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.176 176.348 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 66.9 m-20 -95.08 -15.19 23.61 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.157 178.51 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 57.4 t0 -54.72 127.34 27.81 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.23 174.422 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 162.59 -165.07 36.04 Favored Glycine 0 CA--C 1.524 0.627 0 N-CA-C 111.224 -0.75 . . . . 0.0 111.224 179.996 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 74.2 m-80 -104.62 108.59 20.12 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.748 0.309 . . . . 0.0 111.059 -175.029 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 80' ' ' TYR . . . . . . . . . . . . . 37.8 m-85 -84.54 69.94 10.65 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.199 178.144 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 86.8 m -65.25 134.94 54.73 Favored 'General case' 0 C--O 1.234 0.273 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.249 -172.655 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 1.5 tt -107.06 140.04 26.58 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.409 0 CA-C-O 120.879 0.371 . . . . 0.0 111.097 175.66 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 83' ' ' MET . . . . . . . . . . . . . 60.3 ttm -133.14 114.53 13.98 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.289 -178.088 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 84' ' ' ALA . . . . . 0.424 ' HB2' HG21 ' A' ' 31' ' ' VAL . . . -93.16 89.93 6.65 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.073 -179.548 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -93.11 128.35 38.99 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.31 -0.404 . . . . 0.0 111.216 -177.412 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 86' ' ' ASN . . . . . 0.623 ' HB2' ' CD ' ' A' ' 87' ' ' PRO . 22.8 p30 -140.58 179.17 1.31 Allowed Pre-proline 0 C--N 1.328 -0.344 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.196 173.464 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 87' ' ' PRO . . . . . 0.623 ' CD ' ' HB2' ' A' ' 86' ' ' ASN . 71.5 Cg_exo -58.58 -27.76 83.65 Favored 'Trans proline' 0 N--CA 1.456 -0.714 0 C-N-CA 121.858 1.705 . . . . 0.0 111.249 -173.607 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 98.6 mm-40 -99.78 4.97 45.61 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.087 -0.506 . . . . 0.0 111.201 -169.052 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 136.38 -168.92 23.95 Favored Glycine 0 CA--C 1.523 0.538 0 N-CA-C 111.33 -0.708 . . . . 0.0 111.33 178.03 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 39.7 ptt180 -144.85 159.1 43.43 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.74 0.305 . . . . 0.0 111.073 -177.912 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 14.9 p -150.71 135.1 9.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.086 -0.506 . . . . 0.0 111.069 177.451 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 93.3 p -117.96 157.98 25.75 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.389 -170.909 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 93' ' ' CYS . . . . . . . . . . . . . 53.8 t -150.76 135.04 16.97 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.428 174.108 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 85.5 m -72.12 130.03 39.9 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.316 -0.402 . . . . 0.0 111.249 -174.037 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -102.63 55.65 0.67 Allowed Glycine 0 CA--C 1.524 0.616 0 N-CA-C 111.219 -0.752 . . . . 0.0 111.219 177.803 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 79.3 ttt180 -51.7 115.3 1.58 Allowed 'General case' 0 C--N 1.326 -0.429 0 CA-C-O 120.777 0.323 . . . . 0.0 111.21 -178.015 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 58.9 tp -124.79 109.91 13.67 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.323 172.043 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 98' ' ' MET . . . . . . . . . . . . . 98.7 mmm -97.96 141.48 30.87 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.121 -179.06 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 77.8 t -117.1 125.0 73.68 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.262 -177.341 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 64.0 tt0 -103.05 129.87 49.98 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.172 -179.863 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -82.19 131.04 35.23 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.223 173.954 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 102' ' ' VAL . . . . . . . . . . . . . 58.5 t -131.78 124.9 54.6 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.188 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.251 -176.006 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 98.7 m-20 -64.97 -34.9 79.54 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.197 -174.804 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 104' ' ' GLN . . . . . . . . . . . . . 89.7 mt-30 -73.99 -29.79 62.15 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.299 -0.41 . . . . 0.0 111.38 -179.227 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 24.0 tpp180 -71.62 112.81 8.04 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.009 -0.541 . . . . 0.0 111.195 -178.272 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . -64.85 -22.88 68.81 Favored Glycine 0 CA--C 1.523 0.593 0 N-CA-C 111.406 -0.678 . . . . 0.0 111.406 -178.25 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 26.7 mmm180 -75.06 -23.47 58.08 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.76 0.314 . . . . 0.0 110.995 177.33 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 31.4 t . . . . . 1 C--O 0.998 -12.168 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.254 -176.969 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.522 0.492 0 N-CA-C 111.195 -0.762 . . . . 0.0 111.195 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 79.86 -160.23 44.67 Favored Glycine 0 CA--C 1.523 0.577 0 N-CA-C 111.302 -0.719 . . . . 0.0 111.302 -179.944 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 26.6 t -145.03 84.99 1.73 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.594 0.235 . . . . 0.0 111.266 179.979 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 62.4 t30 55.23 45.12 26.44 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 116.328 -0.396 . . . . 0.0 111.02 -178.928 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -155.01 154.94 33.28 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.164 -178.561 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 85.0 m -139.73 127.3 21.67 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.277 -177.407 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -65.13 144.98 99.16 Favored Pre-proline 0 C--N 1.326 -0.418 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.096 179.027 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 65.9 Cg_exo -55.77 131.32 45.36 Favored 'Trans proline' 0 N--CA 1.458 -0.562 0 C-N-CA 121.552 1.502 . . . . 0.0 111.229 -179.029 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 92.0 t80 -155.12 124.11 6.2 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.311 -0.404 . . . . 0.0 111.058 172.137 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 44.3 m-85 -69.95 91.52 0.67 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.083 -0.508 . . . . 0.0 111.041 -176.311 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 17.1 pt-20 -62.44 -20.04 64.11 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.141 -0.482 . . . . 0.0 111.184 175.182 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 66.7 ttp -137.61 107.22 6.19 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.147 -0.478 . . . . 0.0 111.162 172.514 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 99.5 mttt -92.6 173.74 7.63 Favored 'General case' 0 C--O 1.233 0.2 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.239 -174.606 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 96.5 mt -81.85 153.19 26.52 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.181 -177.421 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 97.1 mttt -106.09 165.03 11.51 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.207 177.853 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 23.2 t-160 -89.18 110.03 20.82 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.141 175.839 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 97.0 m-85 -98.54 145.44 26.8 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.417 -0.356 . . . . 0.0 111.247 -175.506 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 97.5 mttt -113.34 92.86 4.15 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.234 175.192 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 43.0 mm -110.01 140.06 30.62 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.079 -168.1 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 49.3 m-85 -72.68 146.79 46.28 Favored 'General case' 0 CA--C 1.52 -0.185 0 CA-C-N 116.072 -0.513 . . . . 0.0 111.323 179.073 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 87.8 tt0 -55.04 120.68 7.29 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.276 179.045 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 94.14 -11.69 70.23 Favored Glycine 0 CA--C 1.523 0.575 0 N-CA-C 111.311 -0.715 . . . . 0.0 111.311 177.024 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 26.3 ttt -79.96 136.78 54.03 Favored Pre-proline 0 C--N 1.328 -0.339 0 CA-C-O 120.864 0.364 . . . . 0.0 111.286 -177.635 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 62.5 Cg_endo -71.02 148.83 57.74 Favored 'Trans proline' 0 C--N 1.327 -0.553 0 C-N-CA 121.546 1.497 . . . . 0.0 111.2 177.03 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 7.6 p -148.81 134.89 12.19 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.093 176.881 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 87.0 m -113.09 130.52 56.14 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.155 177.658 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 27.2 p90 -146.95 153.24 39.86 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.137 177.972 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 9.5 t -149.21 157.04 43.03 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.249 -167.496 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 21.3 t -140.41 144.14 36.01 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.289 -0.414 . . . . 0.0 111.258 -178.658 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 78.5 ttt180 -125.82 135.92 52.53 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.431 -0.35 . . . . 0.0 111.174 -176.129 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 7.5 p -122.26 128.97 75.65 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.374 0 CA-C-N 116.068 -0.515 . . . . 0.0 111.16 -176.535 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -86.95 64.98 8.77 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.069 -0.514 . . . . 0.0 111.334 178.214 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -105.46 157.06 16.46 Favored Glycine 0 CA--C 1.521 0.441 0 N-CA-C 111.192 -0.763 . . . . 0.0 111.192 -176.861 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 34' ' ' ASN . . . . . 0.451 ' HA ' ' HA ' ' A' ' 35' ' ' PRO . 54.0 t-20 -154.99 108.93 2.3 Favored Pre-proline 0 CA--C 1.51 -0.59 0 CA-C-O 121.225 0.536 . . . . 0.0 111.002 177.028 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 35' ' ' PRO . . . . . 0.451 ' HA ' ' HA ' ' A' ' 34' ' ' ASN . 24.1 Cg_exo -74.9 169.46 74.41 Favored 'Cis proline' 0 N--CA 1.456 -0.695 0 C-N-CA 121.581 -2.258 . . . . 0.0 111.179 9.152 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . 0.447 ' HD2' ' N ' ' A' ' 36' ' ' LYS . 4.0 mptp? -59.06 115.75 13.2 Favored Pre-proline 0 C--N 1.33 -0.24 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.068 -178.843 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 37' ' ' PRO . . . . . 0.46 ' HA ' ' HB3' ' A' ' 86' ' ' ASN . 50.2 Cg_exo -60.07 156.56 38.74 Favored 'Trans proline' 0 N--CA 1.458 -0.613 0 C-N-CA 121.646 1.564 . . . . 0.0 111.149 -176.102 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 99.4 mttt -83.54 82.49 8.28 Favored 'General case' 0 C--N 1.332 -0.159 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.352 176.256 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 94.1 mt -55.96 125.04 10.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.081 -173.552 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 73.1 m-85 -111.9 145.04 40.23 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.257 -0.428 . . . . 0.0 111.176 175.038 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 41' ' ' TRP . . . . . . . . . . . . . 68.5 m95 -119.91 133.88 55.42 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.06 -0.518 . . . . 0.0 111.22 175.918 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 35.1 p90 -151.93 142.54 22.73 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.11 -0.496 . . . . 0.0 111.321 172.275 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 14.0 tmtt? -109.39 110.04 21.07 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.232 -174.856 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 95.0 m-20 55.03 32.55 18.41 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.363 -0.38 . . . . 0.0 111.034 -174.894 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 94.97 0.38 63.84 Favored Glycine 0 CA--C 1.523 0.538 0 N-CA-C 111.201 -0.76 . . . . 0.0 111.201 177.099 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 97.1 mttt -95.05 100.21 12.08 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.941 0.4 . . . . 0.0 111.077 -178.887 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 66.4 tt0 -50.88 129.97 24.31 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.302 -178.113 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 93.4 mt -100.02 123.66 52.99 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-N 116.309 -0.405 . . . . 0.0 111.148 -177.648 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 49' ' ' SER . . . . . 0.422 ' HA ' ' HD3' ' A' ' 50' ' ' PRO . 30.0 t -89.88 134.13 32.58 Favored Pre-proline 0 C--N 1.327 -0.374 0 CA-C-N 116.246 -0.433 . . . . 0.0 111.227 175.236 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 50' ' ' PRO . . . . . 0.422 ' HD3' ' HA ' ' A' ' 49' ' ' SER . 52.1 Cg_exo -54.91 139.05 78.85 Favored 'Trans proline' 0 N--CA 1.458 -0.594 0 C-N-CA 121.703 1.602 . . . . 0.0 111.223 177.919 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 98.3 mttt 57.9 54.62 5.95 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.227 177.435 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 14.9 t -94.91 -162.11 0.92 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.214 178.949 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 99.7 m-20 -55.79 -45.09 78.3 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.259 -177.11 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 54' ' ' HIS . . . . . . . . . . . . . 99.7 m-70 -135.97 -5.06 2.16 Favored 'General case' 0 C--O 1.234 0.286 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.253 -179.503 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 55' ' ' TYR . . . . . . . . . . . . . 21.0 m-30 -108.97 95.58 5.74 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 121.089 0.471 . . . . 0.0 111.158 -173.57 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 97.2 m -99.52 123.2 43.57 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.18 179.633 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 94.7 mt -109.97 123.53 65.94 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.228 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.143 -177.715 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 99.0 mm-40 -106.35 138.21 42.94 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.147 170.473 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 94.2 mtt-85 -120.01 103.27 9.17 Favored 'General case' 0 C--O 1.234 0.251 0 CA-C-N 116.292 -0.413 . . . . 0.0 111.248 -172.631 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 68.0 t0 -84.95 120.3 26.35 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.305 -0.407 . . . . 0.0 111.214 171.653 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 95.9 mt -70.62 -7.29 43.09 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.141 -170.293 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 96.1 m-20 -70.29 -16.08 62.97 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.282 -0.417 . . . . 0.0 111.191 176.203 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 120.73 23.41 2.8 Favored Glycine 0 CA--C 1.523 0.592 0 N-CA-C 111.029 -0.828 . . . . 0.0 111.029 177.844 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 73.7 m -125.05 139.28 53.94 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-O 120.873 0.368 . . . . 0.0 111.236 -179.938 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 65' ' ' CYS . . . . . . . . . . . . . 37.4 t -135.69 134.32 39.02 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.066 -0.515 . . . . 0.0 111.196 177.11 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 37.6 t -117.75 132.01 56.52 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.217 -175.961 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 60.6 tp -111.92 118.43 35.46 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.282 176.092 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 76.7 t60 -102.19 126.84 49.27 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.335 175.762 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 97.7 m -100.28 115.13 29.21 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.106 172.216 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 81.9 m -65.53 -40.3 92.76 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.255 -175.752 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -141.33 88.87 2.18 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.056 -0.52 . . . . 0.0 111.311 -177.444 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 23.3 t -76.89 80.87 3.46 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.141 -176.982 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 62.4 p -85.09 177.79 7.78 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.056 -179.832 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 98.8 mt -61.93 -26.76 68.37 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 115.981 -0.554 . . . . 0.0 111.275 -176.177 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 99.8 m-20 -75.92 -19.54 58.72 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.13 176.165 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 68.9 m-20 -91.89 -7.73 48.42 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.352 178.901 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 54.6 t0 -64.26 127.87 33.34 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.247 171.173 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 156.78 -160.52 30.38 Favored Glycine 0 CA--C 1.524 0.607 0 N-CA-C 111.315 -0.714 . . . . 0.0 111.315 -178.042 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 72.5 m-80 -104.74 106.75 17.37 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.708 0.29 . . . . 0.0 111.204 -171.171 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 80' ' ' TYR . . . . . . . . . . . . . 90.5 m-85 -80.48 69.91 7.06 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.293 -0.412 . . . . 0.0 111.245 174.585 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 86.7 m -68.34 130.09 41.87 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.067 -171.943 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 5.3 tt -112.22 139.79 35.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.062 177.601 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 83' ' ' MET . . . . . . . . . . . . . 66.4 ttp -130.11 122.39 28.17 Favored 'General case' 0 C--O 1.233 0.209 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.262 -179.941 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -106.3 92.83 4.3 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.317 -0.401 . . . . 0.0 111.121 179.758 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -103.14 131.05 50.45 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.251 -174.084 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 86' ' ' ASN . . . . . 0.656 ' HB2' ' CD ' ' A' ' 87' ' ' PRO . 24.9 p-10 -141.86 179.99 1.1 Allowed Pre-proline 0 C--N 1.329 -0.301 0 CA-C-N 116.015 -0.539 . . . . 0.0 111.14 172.867 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 87' ' ' PRO . . . . . 0.656 ' CD ' ' HB2' ' A' ' 86' ' ' ASN . 75.4 Cg_exo -58.58 -25.16 73.47 Favored 'Trans proline' 0 N--CA 1.457 -0.675 0 C-N-CA 121.71 1.606 . . . . 0.0 111.244 -175.068 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 97.3 mm-40 -92.67 -5.02 52.29 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.184 -170.31 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 145.36 -161.85 28.19 Favored Glycine 0 CA--C 1.525 0.681 0 N-CA-C 111.26 -0.736 . . . . 0.0 111.26 -179.216 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 41.4 ptt180 -151.02 160.02 44.19 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 120.682 0.277 . . . . 0.0 111.228 178.759 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 11.9 p -147.09 137.6 17.49 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.421 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.104 176.376 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 29.0 t -124.08 139.98 53.41 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.409 -174.729 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 93' ' ' CYS . . . . . . . . . . . . . 40.4 t -135.71 134.79 39.48 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.269 177.216 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 92.9 m -84.28 117.22 23.42 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.244 -176.116 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -90.66 59.31 3.31 Favored Glycine 0 CA--C 1.523 0.539 0 N-CA-C 111.222 -0.751 . . . . 0.0 111.222 -177.571 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -60.27 110.05 1.14 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.869 0.366 . . . . 0.0 111.233 -179.098 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 1.9 mp -119.97 131.05 55.05 Favored 'General case' 0 C--O 1.236 0.346 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.171 174.435 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 98' ' ' MET . . . . . . . . . . . . . 13.8 tmm? -109.41 140.07 43.59 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.372 -0.377 . . . . 0.0 111.185 -174.792 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 95.8 t -116.58 131.91 67.79 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 CA-C-N 116.158 -0.473 . . . . 0.0 111.215 -178.26 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 65.4 tt0 -108.03 130.05 55.1 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.261 177.641 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -58.74 127.49 32.42 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.142 177.625 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 102' ' ' VAL . . . . . 0.63 ' O ' HG13 ' A' ' 102' ' ' VAL . 7.2 p -100.01 97.13 5.48 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.241 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.298 -178.081 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 99.3 m-20 -76.77 -8.06 56.58 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.203 -178.28 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 104' ' ' GLN . . . . . . . . . . . . . 99.7 mm-40 -85.16 -5.66 59.32 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.299 -0.41 . . . . 0.0 111.346 179.493 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 61.6 ttm-85 -71.28 116.35 11.5 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.875 -0.602 . . . . 0.0 111.274 177.607 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . -71.66 -18.05 76.99 Favored Glycine 0 CA--C 1.524 0.645 0 N-CA-C 111.307 -0.717 . . . . 0.0 111.307 -177.99 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 99.9 mtt180 -90.11 -3.46 57.9 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.805 0.336 . . . . 0.0 111.149 179.978 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 43.4 t . . . . . 1 C--O 0.999 -12.127 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.194 -179.806 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.524 0.614 0 N-CA-C 111.144 -0.782 . . . . 0.0 111.144 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 65.14 -125.02 29.12 Favored Glycine 0 CA--C 1.523 0.586 0 N-CA-C 111.376 -0.69 . . . . 0.0 111.376 179.863 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 44.2 t -149.96 129.99 13.5 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-O 120.636 0.255 . . . . 0.0 111.307 179.671 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 62.2 t30 55.67 45.85 23.83 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.304 -0.407 . . . . 0.0 111.119 -178.125 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -155.0 154.98 33.36 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.167 -177.983 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 86.8 m -145.33 125.1 13.37 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.317 -178.39 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -64.38 145.3 98.4 Favored Pre-proline 0 C--N 1.326 -0.438 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.263 178.504 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 77.5 Cg_exo -53.92 132.15 48.21 Favored 'Trans proline' 0 N--CA 1.457 -0.643 0 C-N-CA 121.657 1.572 . . . . 0.0 111.126 -179.856 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 84.3 t80 -149.48 126.58 11.3 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.218 177.166 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 70.4 m-85 -70.21 87.01 0.58 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.159 179.775 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 16.6 pt-20 -64.05 -20.1 65.69 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.169 172.816 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 67.0 ttp -136.17 113.42 10.64 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.075 -0.512 . . . . 0.0 111.243 167.426 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 99.6 mttt -94.86 166.11 12.13 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.061 -0.518 . . . . 0.0 111.296 -170.661 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 99.5 mt -81.77 156.97 24.68 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.287 -0.415 . . . . 0.0 111.294 177.399 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 97.6 mttt -114.89 176.86 4.87 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.344 -0.389 . . . . 0.0 111.214 175.281 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 19.6 t-160 -74.94 109.19 8.2 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.092 -0.504 . . . . 0.0 111.12 173.275 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 74.1 m-85 -97.29 143.46 28.04 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.411 -0.359 . . . . 0.0 111.198 -173.168 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 99.1 mttt -135.36 140.09 44.75 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.02 -0.536 . . . . 0.0 111.273 177.622 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 10.6 tp -148.54 149.98 14.59 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.087 -177.426 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 65.2 m-85 -76.44 145.37 39.34 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.263 173.607 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 88.7 tt0 -53.73 123.93 13.72 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.062 -178.678 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 101.31 -15.33 57.72 Favored Glycine 0 CA--C 1.524 0.6 0 N-CA-C 111.333 -0.707 . . . . 0.0 111.333 172.205 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 97.8 mmm -85.03 154.63 60.75 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 120.73 0.3 . . . . 0.0 111.334 -175.832 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 71.8 Cg_endo -76.01 154.99 38.22 Favored 'Trans proline' 0 C--N 1.329 -0.484 0 C-N-CA 121.631 1.554 . . . . 0.0 111.134 179.985 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 57.7 t -133.68 125.29 49.4 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.23 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.119 178.391 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 88.7 m -127.34 122.89 34.97 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.11 -179.135 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 52.2 p90 -156.84 165.0 37.45 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.231 172.608 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 12.4 t -145.77 160.51 41.64 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.19 -171.854 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 9.8 t -136.8 147.59 46.68 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.346 -0.388 . . . . 0.0 111.189 179.523 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 43.1 ttm180 -124.32 134.82 53.07 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.856 0.36 . . . . 0.0 111.187 -174.838 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 82.0 t -125.59 129.01 72.8 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.362 0 CA-C-N 116.303 -0.408 . . . . 0.0 111.306 -173.737 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -92.54 64.99 4.33 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.071 -0.513 . . . . 0.0 111.258 178.69 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -105.87 161.17 14.5 Favored Glycine 0 CA--C 1.521 0.409 0 N-CA-C 111.242 -0.743 . . . . 0.0 111.242 -177.336 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 34' ' ' ASN . . . . . 0.436 ' HA ' ' C ' ' A' ' 35' ' ' PRO . 54.1 t-20 -155.0 109.27 2.3 Favored Pre-proline 0 CA--C 1.511 -0.553 0 CA-C-O 121.201 0.524 . . . . 0.0 110.944 178.046 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 35' ' ' PRO . . . . . 0.436 ' C ' ' HA ' ' A' ' 34' ' ' ASN . 24.6 Cg_exo -74.57 164.54 87.81 Favored 'Cis proline' 0 N--CA 1.457 -0.671 0 C-N-CA 121.653 -2.228 . . . . 0.0 111.264 9.183 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 65.0 mmtt -54.65 117.01 12.26 Favored Pre-proline 0 C--N 1.331 -0.231 0 CA-C-N 116.044 -0.525 . . . . 0.0 111.041 -179.775 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 37' ' ' PRO . . . . . 0.465 ' HA ' ' HB3' ' A' ' 86' ' ' ASN . 50.7 Cg_exo -60.55 153.85 58.31 Favored 'Trans proline' 0 N--CA 1.458 -0.576 0 C-N-CA 121.609 1.539 . . . . 0.0 111.236 -178.329 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 98.8 mttt -87.87 70.0 9.5 Favored 'General case' 0 C--N 1.332 -0.166 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.283 175.778 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 94.2 mt -43.49 120.46 0.41 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.094 -172.813 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 74.4 m-85 -109.17 150.74 27.44 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.194 175.118 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 41' ' ' TRP . . . . . . . . . . . . . 92.4 m95 -115.93 142.52 46.68 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.244 172.967 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 41.2 p90 -150.9 145.81 25.88 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.167 170.086 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 12.3 tmtt? -110.01 110.08 20.88 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.215 -172.704 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 89.8 m-20 53.92 33.26 16.9 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.202 -176.504 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 97.0 -1.73 61.21 Favored Glycine 0 CA--C 1.526 0.763 0 N-CA-C 111.136 -0.786 . . . . 0.0 111.136 176.672 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 96.9 mttt -94.92 100.22 12.12 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 120.858 0.361 . . . . 0.0 111.215 -178.161 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 66.4 tt0 -50.99 128.0 20.28 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.28 -178.527 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 95.3 mt -97.25 124.97 50.42 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.364 0 CA-C-N 116.383 -0.371 . . . . 0.0 111.245 -178.949 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 49' ' ' SER . . . . . 0.416 ' HA ' ' HD3' ' A' ' 50' ' ' PRO . 30.5 t -84.73 130.21 53.87 Favored Pre-proline 0 C--N 1.327 -0.402 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.22 173.934 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 50' ' ' PRO . . . . . 0.416 ' HD3' ' HA ' ' A' ' 49' ' ' SER . 58.7 Cg_exo -54.16 137.72 70.64 Favored 'Trans proline' 0 N--CA 1.456 -0.679 0 C-N-CA 121.622 1.548 . . . . 0.0 111.154 178.244 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 97.8 mttt 59.35 57.01 3.53 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.299 178.647 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 15.3 t -95.01 -161.66 0.88 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.252 178.393 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 99.6 m-20 -55.25 -45.19 76.06 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 121.013 0.435 . . . . 0.0 111.171 -178.167 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 54' ' ' HIS . . . . . . . . . . . . . 99.5 m-70 -136.5 -5.24 2.02 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 115.983 -0.553 . . . . 0.0 111.2 -179.856 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 55' ' ' TYR . . . . . . . . . . . . . 22.1 m-30 -107.36 95.2 5.54 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.34 -0.391 . . . . 0.0 111.158 -172.921 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 98.2 m -97.43 125.01 41.83 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.064 -179.811 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 96.8 mt -114.81 132.45 63.98 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.149 179.119 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 69.9 tp60 -128.56 110.06 11.93 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.233 177.019 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 39.6 ttm105 -101.16 100.09 10.59 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.251 -175.368 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 67.0 t0 -71.63 124.04 23.83 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-O 120.894 0.378 . . . . 0.0 111.189 170.74 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 97.5 mt -73.75 -2.68 24.4 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.271 -171.363 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 97.7 m-20 -74.94 -10.21 59.27 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.123 173.751 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 115.71 27.45 3.03 Favored Glycine 0 CA--C 1.522 0.529 0 N-CA-C 111.086 -0.806 . . . . 0.0 111.086 174.158 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 57.0 m -135.08 135.21 41.07 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-O 120.631 0.253 . . . . 0.0 111.281 179.83 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 65' ' ' CYS . . . . . . . . . . . . . 49.5 t -134.1 127.94 33.15 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.118 179.896 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 29.7 t -106.44 142.79 35.53 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.249 -178.14 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 59.8 tp -117.09 123.85 47.79 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.222 173.983 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 80.5 t60 -117.65 122.05 42.52 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.286 179.512 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 96.1 m -99.12 119.9 38.61 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.133 171.753 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 80.1 m -64.71 -45.26 87.32 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.191 -175.628 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -144.94 88.05 1.87 Allowed 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.254 -176.51 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 47.5 t -77.23 108.92 10.68 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.126 -177.118 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 52.6 p -110.46 -178.19 3.43 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.153 179.908 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 97.0 mt -61.94 -27.85 69.13 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.906 -0.588 . . . . 0.0 111.396 -177.991 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 98.9 m-20 -76.83 -17.49 58.97 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.067 175.994 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 68.0 m-20 -95.02 -16.05 23.01 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.217 178.669 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 58.0 t0 -55.04 128.22 32.64 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.314 174.861 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 161.17 -164.05 34.68 Favored Glycine 0 CA--C 1.521 0.44 0 N-CA-C 111.282 -0.727 . . . . 0.0 111.282 -179.713 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 74.4 m-80 -105.05 107.78 18.94 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.866 0.365 . . . . 0.0 111.242 -174.035 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 80' ' ' TYR . . . . . . . . . . . . . 50.8 m-85 -84.82 71.24 10.89 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.237 178.321 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 86.0 m -65.02 133.54 51.89 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.229 -171.321 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 5.8 tt -104.03 141.73 19.07 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.328 -0.396 . . . . 0.0 110.993 177.599 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 83' ' ' MET . . . . . . . . . . . . . 60.0 ttm -134.28 117.02 15.96 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.015 -0.539 . . . . 0.0 111.291 179.145 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -94.55 91.6 6.67 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.9 0.381 . . . . 0.0 111.207 179.448 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -96.87 127.54 42.95 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.25 -175.113 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 86' ' ' ASN . . . . . 0.623 ' HB2' ' CD ' ' A' ' 87' ' ' PRO . 22.8 p-10 -142.75 179.26 1.23 Allowed Pre-proline 0 C--N 1.328 -0.349 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.063 172.572 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 87' ' ' PRO . . . . . 0.623 ' CD ' ' HB2' ' A' ' 86' ' ' ASN . 76.9 Cg_exo -59.04 -26.03 80.07 Favored 'Trans proline' 0 N--CA 1.457 -0.635 0 C-N-CA 121.739 1.626 . . . . 0.0 111.262 -175.031 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 96.8 mm-40 -92.92 -5.02 51.73 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.058 -0.519 . . . . 0.0 111.309 -170.412 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 142.05 -164.0 26.92 Favored Glycine 0 CA--C 1.522 0.473 0 N-CA-C 111.378 -0.689 . . . . 0.0 111.378 -179.853 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 40.2 ptt180 -149.83 160.0 43.91 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.652 0.263 . . . . 0.0 111.27 -179.308 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 14.0 p -150.33 138.97 14.89 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.423 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.191 176.168 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 89.0 p -120.15 153.97 35.44 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.3 -0.409 . . . . 0.0 111.247 -172.685 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 93' ' ' CYS . . . . . . . . . . . . . 50.5 t -151.44 136.65 17.53 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.34 176.637 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 88.9 m -69.34 128.95 38.39 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.311 -0.404 . . . . 0.0 111.351 -174.971 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -101.74 56.15 0.71 Allowed Glycine 0 CA--C 1.524 0.652 0 N-CA-C 111.256 -0.738 . . . . 0.0 111.256 176.832 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 79.3 ttt180 -53.22 115.15 1.74 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.744 0.306 . . . . 0.0 111.287 -176.407 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 60.8 tp -123.81 110.3 14.71 Favored 'General case' 0 C--O 1.235 0.32 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.105 172.428 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 98' ' ' MET . . . . . . . . . . . . . 98.7 mmm -97.98 141.75 30.56 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.15 -179.376 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 89.3 t -116.48 124.81 73.07 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.416 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.191 -176.749 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 51.1 tp60 -82.59 121.4 26.76 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.214 175.676 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -59.6 133.78 56.41 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.251 -0.432 . . . . 0.0 111.292 178.695 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 102' ' ' VAL . . . . . . . . . . . . . 79.4 t -118.77 111.11 32.32 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.25 178.109 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 99.5 m-20 -71.91 -18.91 61.99 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.119 -174.805 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 104' ' ' GLN . . . . . . . . . . . . . 99.8 mm-40 -88.95 -4.98 58.29 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.432 -179.073 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 24.4 tpp180 -69.93 109.96 4.77 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.947 -0.569 . . . . 0.0 111.394 178.677 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . -73.31 -17.18 78.75 Favored Glycine 0 CA--C 1.525 0.684 0 N-CA-C 111.093 -0.803 . . . . 0.0 111.093 -177.069 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 99.8 mtt180 -93.77 -0.12 56.06 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-O 120.762 0.315 . . . . 0.0 111.143 -179.386 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 39.1 t . . . . . 1 C--O 0.999 -12.102 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.125 -177.323 . . . . . . . . 1 1 . 1 stop_ save_