data_2n0k_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 2n0k _Structure_validation_residue.Date_analyzed 2016-10-08 loop_ _Residue_analysis_software.Software_ID _Residue_analysis_software.Software_label _Residue_analysis_software.Method_ID _Residue_analysis_software.Method_label _Residue_analysis_software.Entry_ID _Residue_analysis_software.Structure_validation_oneline_list_ID 1 MolProbity . . ? 1 2 CYRANGE . . ? 1 stop_ loop_ _Residue_analysis.ID _Residue_analysis.PDB_model_num _Residue_analysis.Hydrogen_positions _Residue_analysis.MolProbity_flips _Residue_analysis.Cyrange_core_flag _Residue_analysis.Two_letter_chain_ID _Residue_analysis.PDB_strand_ID _Residue_analysis.PDB_residue_no _Residue_analysis.PDB_ins_code _Residue_analysis.PDB_residue_name _Residue_analysis.Assembly_ID _Residue_analysis.Entity_assembly_ID _Residue_analysis.Entity_ID _Residue_analysis.Comp_ID _Residue_analysis.Comp_index_ID _Residue_analysis.Clash_value _Residue_analysis.Clash_source_PDB_atom_name _Residue_analysis.Clash_destination_PDB_atom_name _Residue_analysis.Clash_destination_PDB_strand_ID _Residue_analysis.Clash_destination_PDB_residue_no _Residue_analysis.Clash_destination_PDB_ins_code _Residue_analysis.Clash_destination_PDB_residue_name _Residue_analysis.Cbeta_deviation_value _Residue_analysis.Rotamer_score _Residue_analysis.Rotamer_name _Residue_analysis.Ramachandran_phi _Residue_analysis.Ramachandran_psi _Residue_analysis.Ramachandran_score _Residue_analysis.Ramachandran_evaluation _Residue_analysis.Ramachandran_type _Residue_analysis.Bond_outlier_count _Residue_analysis.Worst_bond _Residue_analysis.Worst_bond_value _Residue_analysis.Worst_bond_sigma _Residue_analysis.Angle_outlier_count _Residue_analysis.Worst_angle _Residue_analysis.Worst_angle_value _Residue_analysis.Worst_angle_sigma _Residue_analysis.RNA_phosphate_perpendicular_outlier _Residue_analysis.RNA_suitness_score _Residue_analysis.RNA_suite_conformer _Residue_analysis.RNA_suite_triage _Residue_analysis.Max_b_factor _Residue_analysis.Tau_angle _Residue_analysis.Omega_dihedral _Residue_analysis.Disulfide_chi1 _Residue_analysis.Disulfide_chi2 _Residue_analysis.Disulfide_chi3 _Residue_analysis.Disulfide_ss_angle _Residue_analysis.Disulfide_ss _Residue_analysis.Disulfide_ss_angle_prime _Residue_analysis.Disulfide_chi2prime _Residue_analysis.Disulfide_chi1prime _Residue_analysis.Outlier_count_separate_geometry _Residue_analysis.Outlier_count _Residue_analysis.Entry_ID _Residue_analysis.Structure_validation_residue_list_ID . 001 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 89.2 tt0 . . . . . 0 CA--C 1.523 -0.089 0 CA-C-O 120.8 0.333 . . . . 0.0 111.22 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 68' ' ' MET . . . . . . . . . . . . . 64.9 ttp -102.36 132.72 48.17 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.162 166.934 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 55.3 ttp180 -158.54 128.41 5.86 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.067 -0.515 . . . . 0.0 111.212 178.447 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 65.6 tp -77.68 109.49 11.71 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.322 -0.399 . . . . 0.0 111.136 166.293 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 71' ' ' GLU . . . . . 0.482 ' O ' ' C ' ' A' ' 72' ' ' LYS . 79.5 mm-40 -68.99 -179.25 1.43 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.101 -0.5 . . . . 0.0 111.235 179.075 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 72' ' ' LYS . . . . . 0.482 ' C ' ' O ' ' A' ' 71' ' ' GLU . 87.9 tttt -29.53 -59.97 0.15 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.123 177.588 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 57.6 p-10 -146.45 46.41 1.21 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.2 176.331 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 79.2 ttt180 -160.49 127.7 4.36 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.227 -175.732 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 75' ' ' PHE . . . . . . . . . . . . . 37.7 t80 -96.46 117.98 32.02 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.154 -177.937 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 90.1 p -132.81 147.92 52.31 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.217 -177.708 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 77' ' ' VAL . . . . . 0.492 ' O ' ' HA ' ' A' ' 144' ' ' THR . 87.9 t -139.95 136.36 38.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.162 179.256 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 93.6 m-20 -105.56 147.09 28.78 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.207 166.053 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 73.7 mt -143.14 146.27 33.58 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.206 -173.231 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 58.8 t0 -82.02 113.26 19.78 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.247 -178.811 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 81' ' ' VAL . . . . . 0.48 ' O ' ' CG1' ' A' ' 81' ' ' VAL . 62.0 t -134.39 45.65 0.48 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.102 170.535 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 98.5 mttt -78.17 -28.93 48.37 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.158 -165.8 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 41.8 m80 -121.34 3.69 10.29 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.288 -0.415 . . . . 0.0 111.167 -162.654 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 84' ' ' PHE . . . . . 0.404 ' CD1' ' HB2' ' A' ' 104' ' ' HIS . 40.8 p90 -146.31 -179.18 6.56 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.202 177.342 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 69.4 m -128.76 166.92 21.45 Favored Pre-proline 0 C--N 1.328 -0.344 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.212 -154.336 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 87.0 Cg_exo -51.96 -30.24 38.76 Favored 'Trans proline' 0 N--CA 1.457 -0.664 0 C-N-CA 121.665 1.577 . . . . 0.0 111.268 177.807 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 99.8 mt-10 -65.91 -34.9 79.18 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.181 -176.952 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 93.7 mt-10 -103.49 -5.79 22.45 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.16 177.675 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 46.5 tp -94.21 96.74 9.79 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.123 178.835 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 98.8 mttt -95.63 74.57 3.21 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.18 -173.1 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 97.3 t -61.19 102.68 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.128 174.729 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 99.1 mttt -118.83 150.85 39.13 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.223 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 35.2 m -129.12 152.62 37.47 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.207 171.372 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 94' ' ' LEU . . . . . 0.406 ' HB2' ' HB ' ' A' ' 97' ' ' VAL . 75.5 mt -133.28 74.35 1.56 Allowed 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.233 179.175 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 81.16 -104.64 2.37 Favored Glycine 0 CA--C 1.523 0.593 0 N-CA-C 111.183 -0.767 . . . . 0.0 111.183 179.925 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 48.5 p-10 -97.57 29.86 3.14 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 120.84 0.352 . . . . 0.0 111.163 171.041 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 97' ' ' VAL . . . . . 0.406 ' HB ' ' HB2' ' A' ' 94' ' ' LEU . 99.7 t -124.32 139.85 49.41 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.379 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.253 -177.153 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 98' ' ' ILE . . . . . . . . . . . . . 63.8 mt -118.57 92.74 2.23 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.385 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.13 175.924 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 84.5 tt0 -97.64 87.83 4.18 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.191 179.555 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 100' ' ' VAL . . . . . 0.438 ' HB ' ' HB2' ' A' ' 120' ' ' ARG . 58.7 t -77.98 73.18 0.55 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.188 176.193 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 101' ' ' HIS . . . . . 0.626 ' ND1' ' O ' ' A' ' 101' ' ' HIS . 15.7 t-80 -60.78 75.66 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.128 175.313 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 102' ' ' GLY . . . . . 0.42 ' N ' ' O ' ' A' ' 100' ' ' VAL . . . -66.87 170.25 33.25 Favored Glycine 0 CA--C 1.524 0.638 0 N-CA-C 111.185 -0.766 . . . . 0.0 111.185 172.324 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 37.9 ttpt -168.91 124.48 0.91 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.752 0.311 . . . . 0.0 111.177 174.596 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 104' ' ' HIS . . . . . 0.763 ' HD1' HH11 ' A' ' 107' ' ' ARG . 23.3 t-160 -111.21 108.47 18.13 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.3 163.053 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 91.2 mt-10 -93.53 166.73 12.11 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.164 174.858 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 95.1 mt-10 49.58 60.27 3.91 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.217 -179.646 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 107' ' ' ARG . . . . . 0.763 HH11 ' HD1' ' A' ' 104' ' ' HIS . 55.7 ttt85 -109.84 90.77 3.41 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.305 -0.407 . . . . 0.0 111.189 -173.028 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 108' ' ' GLN . . . . . . . . . . . . . 90.2 mt-30 -60.37 137.3 58.16 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.142 175.927 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 56.1 p30 -154.61 -147.75 0.22 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.246 177.193 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 58.9 mp0 -66.98 -18.69 65.5 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.235 -0.438 . . . . 0.0 111.195 -174.548 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 111' ' ' HIS . . . . . . . . . . . . . 23.5 p-80 -135.14 94.73 3.17 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.119 174.87 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 41.03 -139.37 1.48 Allowed Glycine 0 CA--C 1.524 0.612 0 N-CA-C 111.212 -0.755 . . . . 0.0 111.212 179.954 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 113' ' ' PHE . . . . . . . . . . . . . 66.7 m-85 -86.35 150.15 24.54 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.826 0.346 . . . . 0.0 111.294 -178.444 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 114' ' ' ILE . . . . . . . . . . . . . 34.2 pt -134.35 -161.56 0.28 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.15 161.156 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 115' ' ' SER . . . . . 0.574 ' HB3' ' HD1' ' B' ' 119' ' ' HIS . 37.7 t -158.63 143.81 16.32 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.256 168.389 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 116' ' ' ARG . . . . . . . . . . . . . 69.5 mtm180 -111.41 84.34 1.93 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.087 175.986 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 87.2 tt0 -95.59 117.29 30.17 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.081 -0.509 . . . . 0.0 111.157 179.866 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 118' ' ' PHE . . . . . 0.427 ' HA ' ' O ' ' B' ' 115' ' ' SER . 77.4 m-85 -102.81 157.92 16.62 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.077 -165.813 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 119' ' ' HIS . . . . . 0.597 ' HD1' ' HB3' ' B' ' 115' ' ' SER . 79.5 m80 -130.8 66.03 1.53 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.201 164.559 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 120' ' ' ARG . . . . . 0.438 ' HB2' ' HB ' ' A' ' 100' ' ' VAL . 89.2 mtt180 -76.57 73.2 3.28 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.229 -162.592 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 121' ' ' LYS . . . . . . . . . . . . . 39.8 ttmt -93.88 96.6 9.83 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.262 -171.329 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 122' ' ' TYR . . . . . . . . . . . . . 41.1 p90 -121.83 145.1 48.4 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.052 -0.522 . . . . 0.0 111.154 173.543 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 123' ' ' ARG . . . . . . . . . . . . . 9.9 mpt_? -94.11 159.51 15.12 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.264 -0.425 . . . . 0.0 111.175 -164.684 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 124' ' ' ILE . . . . . . . . . . . . . 68.1 mt -89.21 127.17 56.29 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.089 177.383 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 125' ' ' PRO . . . . . . . . . . . . . 81.8 Cg_exo -48.87 140.14 23.92 Favored 'Trans proline' 0 C--N 1.328 -0.539 0 C-N-CA 121.734 1.623 . . . . 0.0 111.192 174.024 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . -60.38 -16.43 35.41 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.142 -176.191 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 127' ' ' ASP . . . . . . . . . . . . . 78.0 m-20 -101.55 16.57 25.28 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.264 -0.425 . . . . 0.0 111.231 -177.736 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 128' ' ' VAL . . . . . . . . . . . . . 92.8 t -127.61 133.47 67.62 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.251 -179.569 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 64.8 t0 -85.47 118.43 70.69 Favored Pre-proline 0 C--N 1.328 -0.327 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.196 -176.186 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 130' ' ' PRO . . . . . . . . . . . . . 82.7 Cg_exo -52.62 -33.66 59.84 Favored 'Trans proline' 0 N--CA 1.458 -0.574 0 C-N-CA 121.676 1.584 . . . . 0.0 111.19 179.903 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 131' ' ' LEU . . . . . . . . . . . . . 95.8 mt -72.95 -22.27 60.74 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.197 -173.24 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 132' ' ' THR . . . . . . . . . . . . . 81.4 p -90.7 -4.05 57.03 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.147 -178.395 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 133' ' ' ILE . . . . . . . . . . . . . 99.3 mt -88.72 121.48 38.97 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.314 -0.403 . . . . 0.0 111.221 179.488 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 134' ' ' THR . . . . . . . . . . . . . 92.8 m -127.07 134.93 50.18 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.181 -178.805 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 135' ' ' SER . . . . . . . . . . . . . 79.5 p -89.57 159.13 17.35 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.305 -0.407 . . . . 0.0 111.274 178.343 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 136' ' ' SER . . . . . . . . . . . . . 43.4 t -159.47 122.39 3.58 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.224 179.345 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 137' ' ' LEU . . . . . . . . . . . . . 69.1 tp -102.25 120.61 40.76 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.216 -176.099 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 138' ' ' SER . . . . . 0.465 ' HG ' ' H ' ' A' ' 142' ' ' VAL . 74.8 p -81.56 167.01 19.74 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.176 -177.227 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 139' ' ' SER . . . . . . . . . . . . . 86.1 p -69.6 -18.97 63.66 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.174 176.847 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 140' ' ' ASP . . . . . . . . . . . . . 91.5 m-20 -83.5 -7.16 59.59 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.168 176.602 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 141' ' ' GLY . . . . . . . . . . . . . . . 82.94 45.25 6.77 Favored Glycine 0 CA--C 1.524 0.633 0 N-CA-C 111.155 -0.778 . . . . 0.0 111.155 179.407 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 142' ' ' VAL . . . . . 0.465 ' H ' ' HG ' ' A' ' 138' ' ' SER . 67.6 t -118.83 113.98 43.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-O 120.729 0.3 . . . . 0.0 111.261 171.767 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 143' ' ' LEU . . . . . . . . . . . . . 38.1 tp -89.79 117.41 28.61 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.191 179.519 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 144' ' ' THR . . . . . 0.492 ' HA ' ' O ' ' A' ' 77' ' ' VAL . 99.9 m -107.74 109.51 21.1 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.217 -175.929 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 145' ' ' VAL . . . . . . . . . . . . . 62.6 t -106.63 109.54 28.41 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.389 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.246 -179.993 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 146' ' ' ASP . . . . . 0.484 ' C ' ' OD1' ' A' ' 146' ' ' ASP . 23.6 t0 -148.01 119.17 7.75 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.079 -161.54 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 147' ' ' GLY . . . . . . . . . . . . . . . -137.12 133.06 6.26 Favored Glycine 0 CA--C 1.525 0.71 0 N-CA-C 111.069 -0.812 . . . . 0.0 111.069 171.067 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 148' ' ' PRO . . . . . . . . . . . . . 50.1 Cg_exo -60.05 162.63 16.04 Favored 'Trans proline' 0 N--CA 1.458 -0.6 0 C-N-CA 121.657 1.572 . . . . 0.0 111.275 178.369 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 149' ' ' ARG . . . . . . . . . . . . . 95.8 mtt180 . . . . . 0 C--N 1.329 -0.295 0 CA-C-N 116.282 -0.417 . . . . 0.0 111.215 179.194 . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' B' B ' 67' ' ' GLU . . . . . . . . . . . . . 89.2 tt0 . . . . . 0 C--O 1.23 0.069 0 CA-C-O 120.739 0.304 . . . . 0.0 111.251 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' B' B ' 68' ' ' MET . . . . . . . . . . . . . 65.0 ttp -102.25 132.63 48.07 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.291 166.91 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 69' ' ' ARG . . . . . . . . . . . . . 55.4 ttp180 -158.55 128.36 5.83 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.282 178.438 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 70' ' ' LEU . . . . . . . . . . . . . 65.6 tp -77.58 109.49 11.59 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.33 -0.395 . . . . 0.0 111.169 166.374 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 71' ' ' GLU . . . . . 0.476 ' O ' ' C ' ' B' ' 72' ' ' LYS . 79.3 mm-40 -69.06 -179.37 1.5 Allowed 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.214 179.097 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 72' ' ' LYS . . . . . 0.476 ' C ' ' O ' ' B' ' 71' ' ' GLU . 88.0 tttt -29.29 -60.02 0.14 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.17 177.561 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 73' ' ' ASP . . . . . . . . . . . . . 57.6 p-10 -146.53 46.49 1.21 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.114 176.354 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 74' ' ' ARG . . . . . . . . . . . . . 79.3 ttt180 -160.56 127.72 4.32 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.175 -175.767 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 75' ' ' PHE . . . . . . . . . . . . . 37.6 t80 -96.43 117.9 31.84 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.257 -178.049 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 76' ' ' SER . . . . . . . . . . . . . 89.8 p -132.73 147.89 52.33 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.121 -177.623 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 77' ' ' VAL . . . . . 0.48 ' O ' ' HA ' ' B' ' 144' ' ' THR . 87.3 t -139.85 136.29 38.82 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.217 179.207 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 78' ' ' ASN . . . . . . . . . . . . . 93.6 m-20 -105.61 147.04 28.89 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.279 -0.418 . . . . 0.0 111.262 166.011 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 79' ' ' LEU . . . . . . . . . . . . . 74.0 mt -143.07 146.36 33.73 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.208 -173.132 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 80' ' ' ASP . . . . . . . . . . . . . 58.9 t0 -82.13 113.21 19.83 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.154 -178.746 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 81' ' ' VAL . . . . . 0.484 ' CG1' ' O ' ' B' ' 81' ' ' VAL . 62.0 t -134.34 45.69 0.48 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.132 170.447 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 82' ' ' LYS . . . . . . . . . . . . . 98.5 mttt -78.14 -28.92 48.51 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.182 -165.778 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 83' ' ' HIS . . . . . . . . . . . . . 41.8 m80 -121.37 3.63 10.27 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.163 -162.601 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 84' ' ' PHE . . . . . 0.412 ' CD1' ' HB2' ' B' ' 104' ' ' HIS . 40.8 p90 -146.23 -179.11 6.51 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.192 177.354 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 85' ' ' SER . . . . . . . . . . . . . 69.4 m -128.88 166.75 22.79 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.224 -154.272 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 86' ' ' PRO . . . . . . . . . . . . . 86.5 Cg_exo -51.75 -30.42 37.56 Favored 'Trans proline' 0 N--CA 1.457 -0.621 0 C-N-CA 121.722 1.614 . . . . 0.0 111.267 177.765 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 87' ' ' GLU . . . . . . . . . . . . . 99.8 mt-10 -65.7 -35.06 79.66 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.092 -0.504 . . . . 0.0 111.186 -176.892 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 88' ' ' GLU . . . . . . . . . . . . . 93.8 mt-10 -103.49 -5.81 22.43 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.13 -0.487 . . . . 0.0 111.122 177.805 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 89' ' ' LEU . . . . . . . . . . . . . 46.6 tp -94.16 96.73 9.8 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.175 178.765 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 90' ' ' LYS . . . . . . . . . . . . . 98.8 mttt -95.61 74.6 3.22 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.128 -173.053 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 91' ' ' VAL . . . . . . . . . . . . . 97.6 t -61.27 102.68 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.302 -0.408 . . . . 0.0 111.147 174.758 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 92' ' ' LYS . . . . . . . . . . . . . 99.1 mttt -118.78 150.8 39.19 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.215 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 93' ' ' VAL . . . . . . . . . . . . . 34.9 m -129.02 152.65 37.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.192 171.295 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 94' ' ' LEU . . . . . 0.403 ' HB2' ' HB ' ' B' ' 97' ' ' VAL . 75.5 mt -133.31 74.5 1.57 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.073 -0.512 . . . . 0.0 111.207 179.134 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 95' ' ' GLY . . . . . . . . . . . . . . . 81.04 -104.54 2.35 Favored Glycine 0 CA--C 1.524 0.645 0 N-CA-C 111.219 -0.752 . . . . 0.0 111.219 179.927 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 96' ' ' ASP . . . . . . . . . . . . . 48.4 p-10 -97.64 29.97 3.12 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.704 0.288 . . . . 0.0 111.099 171.026 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 97' ' ' VAL . . . . . 0.403 ' HB ' ' HB2' ' B' ' 94' ' ' LEU . 97.3 t -124.46 139.9 49.34 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.366 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.179 -177.215 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 98' ' ' ILE . . . . . . . . . . . . . 64.0 mt -118.6 92.76 2.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.134 175.926 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 99' ' ' GLU . . . . . . . . . . . . . 84.5 tt0 -97.59 87.81 4.18 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.168 179.627 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 100' ' ' VAL . . . . . 0.438 ' O ' ' N ' ' B' ' 102' ' ' GLY . 58.7 t -78.04 73.14 0.55 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.381 0 CA-C-N 116.286 -0.415 . . . . 0.0 111.169 176.228 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 101' ' ' HIS . . . . . 0.64 ' O ' ' ND1' ' B' ' 101' ' ' HIS . 15.5 t-80 -60.67 75.53 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.183 175.231 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 102' ' ' GLY . . . . . 0.438 ' N ' ' O ' ' B' ' 100' ' ' VAL . . . -66.7 170.3 32.46 Favored Glycine 0 CA--C 1.523 0.592 0 N-CA-C 111.226 -0.749 . . . . 0.0 111.226 172.305 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 103' ' ' LYS . . . . . . . . . . . . . 37.9 ttpt -169.01 124.42 0.89 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.763 0.316 . . . . 0.0 111.151 174.548 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 104' ' ' HIS . . . . . 0.767 ' HD1' HH11 ' B' ' 107' ' ' ARG . 23.3 t-160 -111.09 108.34 18.02 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.273 163.094 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 105' ' ' GLU . . . . . . . . . . . . . 91.2 mt-10 -93.53 166.75 12.1 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.272 174.722 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 106' ' ' GLU . . . . . . . . . . . . . 95.0 mt-10 49.62 60.22 3.94 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.229 -179.654 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 107' ' ' ARG . . . . . 0.767 HH11 ' HD1' ' B' ' 104' ' ' HIS . 55.8 ttt85 -109.89 90.86 3.43 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.131 -173.001 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 108' ' ' GLN . . . . . . . . . . . . . 90.2 mt-30 -60.45 137.3 58.17 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.153 175.962 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 109' ' ' ASP . . . . . . . . . . . . . 56.3 p30 -154.5 -147.61 0.22 Allowed 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.174 177.249 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 110' ' ' GLU . . . . . . . . . . . . . 58.9 mp0 -67.16 -18.66 65.37 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.151 -174.544 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 111' ' ' HIS . . . . . . . . . . . . . 23.6 p-80 -135.14 94.58 3.15 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.091 174.916 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 112' ' ' GLY . . . . . . . . . . . . . . . 41.11 -139.38 1.54 Allowed Glycine 0 CA--C 1.523 0.535 0 N-CA-C 111.164 -0.774 . . . . 0.0 111.164 179.892 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 113' ' ' PHE . . . . . . . . . . . . . 66.8 m-85 -86.27 150.22 24.51 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 120.799 0.333 . . . . 0.0 111.294 -178.481 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 114' ' ' ILE . . . . . . . . . . . . . 34.0 pt -134.37 -161.61 0.28 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.169 161.149 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 115' ' ' SER . . . . . 0.597 ' HB3' ' HD1' ' A' ' 119' ' ' HIS . 37.6 t -158.61 143.75 16.3 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.267 168.336 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 116' ' ' ARG . . . . . . . . . . . . . 69.4 mtm180 -111.34 84.29 1.92 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.171 175.957 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 117' ' ' GLU . . . . . . . . . . . . . 87.3 tt0 -95.44 117.08 29.72 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.079 -0.51 . . . . 0.0 111.278 179.835 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 118' ' ' PHE . . . . . 0.438 ' HA ' ' O ' ' A' ' 115' ' ' SER . 77.4 m-85 -102.68 157.92 16.6 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.284 -0.416 . . . . 0.0 111.144 -165.827 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 119' ' ' HIS . . . . . 0.574 ' HD1' ' HB3' ' A' ' 115' ' ' SER . 79.5 m80 -130.87 66.1 1.54 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.136 164.641 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 120' ' ' ARG . . . . . 0.434 ' HB2' ' HB ' ' B' ' 100' ' ' VAL . 89.2 mtt180 -76.6 73.12 3.3 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.253 -162.598 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 121' ' ' LYS . . . . . . . . . . . . . 39.8 ttmt -93.85 96.61 9.85 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.099 -171.205 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 122' ' ' TYR . . . . . . . . . . . . . 41.5 p90 -121.76 145.11 48.36 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.195 173.35 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 123' ' ' ARG . . . . . . . . . . . . . 9.9 mpt_? -94.08 159.58 15.09 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.179 -164.733 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 124' ' ' ILE . . . . . . . . . . . . . 67.7 mt -89.24 127.1 56.49 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.178 177.382 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 125' ' ' PRO . . . . . . . . . . . . . 81.2 Cg_exo -48.86 140.18 23.81 Favored 'Trans proline' 0 N--CA 1.459 -0.542 0 C-N-CA 121.686 1.59 . . . . 0.0 111.227 174.097 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 126' ' ' ALA . . . . . . . . . . . . . . . -60.35 -16.35 34.35 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.259 -176.261 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 127' ' ' ASP . . . . . . . . . . . . . 77.9 m-20 -101.63 16.61 25.21 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.196 -177.736 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 128' ' ' VAL . . . . . . . . . . . . . 93.0 t -127.54 133.34 67.97 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.197 -179.48 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 129' ' ' ASP . . . . . . . . . . . . . 64.8 t0 -85.43 118.47 70.78 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.273 -176.361 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 130' ' ' PRO . . . . . . . . . . . . . 80.4 Cg_exo -52.56 -33.75 59.57 Favored 'Trans proline' 0 N--CA 1.458 -0.615 0 C-N-CA 121.638 1.559 . . . . 0.0 111.256 179.879 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 131' ' ' LEU . . . . . . . . . . . . . 95.7 mt -72.91 -22.21 60.78 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.228 -173.229 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 132' ' ' THR . . . . . . . . . . . . . 81.4 p -90.89 -3.85 57.02 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.225 -178.482 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 133' ' ' ILE . . . . . . . . . . . . . 99.6 mt -88.8 121.46 39.0 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.224 -0.443 . . . . 0.0 111.196 179.454 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 134' ' ' THR . . . . . . . . . . . . . 92.4 m -127.09 134.89 50.17 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.195 -178.804 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 135' ' ' SER . . . . . . . . . . . . . 79.1 p -89.63 159.13 17.3 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.233 178.392 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 136' ' ' SER . . . . . . . . . . . . . 43.4 t -159.45 122.46 3.6 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.2 179.371 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 137' ' ' LEU . . . . . . . . . . . . . 69.1 tp -102.31 120.5 40.59 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.232 -176.112 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 138' ' ' SER . . . . . . . . . . . . . 74.4 p -81.34 167.08 19.88 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.202 -177.279 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 139' ' ' SER . . . . . . . . . . . . . 86.3 p -69.84 -18.74 63.46 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.182 176.798 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 140' ' ' ASP . . . . . . . . . . . . . 91.5 m-20 -83.64 -7.06 59.58 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.181 176.476 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 141' ' ' GLY . . . . . . . . . . . . . . . 82.95 45.21 6.77 Favored Glycine 0 CA--C 1.524 0.628 0 N-CA-C 111.227 -0.749 . . . . 0.0 111.227 179.357 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 142' ' ' VAL . . . . . . . . . . . . . 67.9 t -118.84 113.87 42.99 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-O 120.778 0.323 . . . . 0.0 111.265 171.862 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 143' ' ' LEU . . . . . . . . . . . . . 38.0 tp -89.7 117.34 28.5 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.221 179.54 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 144' ' ' THR . . . . . 0.48 ' HA ' ' O ' ' B' ' 77' ' ' VAL . 99.0 m -107.73 109.38 20.95 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.238 -175.842 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 145' ' ' VAL . . . . . . . . . . . . . 61.6 t -106.59 109.47 28.16 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.396 0 CA-C-N 116.326 -0.397 . . . . 0.0 111.261 -179.93 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 146' ' ' ASP . . . . . 0.492 ' C ' ' OD1' ' B' ' 146' ' ' ASP . 23.6 t0 -147.98 119.05 7.69 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.203 -161.569 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 147' ' ' GLY . . . . . . . . . . . . . . . -136.99 133.01 6.25 Favored Glycine 0 CA--C 1.523 0.537 0 N-CA-C 111.19 -0.764 . . . . 0.0 111.19 171.131 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 148' ' ' PRO . . . . . . . . . . . . . 50.4 Cg_exo -60.04 162.62 16.03 Favored 'Trans proline' 0 N--CA 1.459 -0.52 0 C-N-CA 121.713 1.609 . . . . 0.0 111.249 178.404 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 149' ' ' ARG . . . . . . . . . . . . . 95.8 mtt180 . . . . . 0 C--N 1.329 -0.317 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.213 179.157 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 87.5 tt0 . . . . . 0 C--O 1.231 0.121 0 CA-C-O 120.792 0.33 . . . . 0.0 111.128 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 68' ' ' MET . . . . . . . . . . . . . 59.2 ttm -37.57 119.52 0.73 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.178 178.4 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 78.9 ttt180 -118.74 117.7 29.62 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.22 -178.101 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 9.5 mp -81.31 113.26 19.3 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.257 -179.64 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 71' ' ' GLU . . . . . 0.635 ' O ' ' C ' ' A' ' 72' ' ' LYS . 81.4 mm-40 -85.32 178.48 7.46 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.163 170.089 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 72' ' ' LYS . . . . . 0.635 ' C ' ' O ' ' A' ' 71' ' ' GLU . 88.1 tttt -13.4 -70.44 0.01 OUTLIER 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.212 -177.019 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 57.4 p-10 -143.05 44.42 1.56 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.099 -0.5 . . . . 0.0 111.256 178.33 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 79.6 ttt180 -170.82 135.76 1.11 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.058 -0.519 . . . . 0.0 111.162 -175.917 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 75' ' ' PHE . . . . . . . . . . . . . 39.2 p90 -112.52 159.04 19.19 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.15 -176.823 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 97.5 p -144.27 158.48 43.71 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.06 -0.518 . . . . 0.0 111.234 177.685 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 76.2 t -133.86 144.74 34.81 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.373 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.276 -176.882 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 40.4 t-20 -125.84 103.98 8.08 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.165 176.581 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 81.1 mt -116.02 152.62 33.19 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.141 176.823 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 60.1 t0 -101.93 113.72 27.18 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.184 -178.781 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 20.9 m -132.42 46.24 0.51 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.225 177.379 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 83.8 tttt -79.35 137.92 37.49 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.163 -0.472 . . . . 0.0 111.16 178.699 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 66.7 m-70 72.21 34.26 1.42 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.069 -0.514 . . . . 0.0 111.177 -175.991 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 84' ' ' PHE . . . . . . . . . . . . . 66.1 m-85 -122.84 145.64 48.26 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.27 172.783 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 85' ' ' SER . . . . . 0.426 ' O ' ' N ' ' A' ' 89' ' ' LEU . 74.4 m -109.9 151.0 42.14 Favored Pre-proline 0 C--N 1.327 -0.391 0 CA-C-N 116.288 -0.414 . . . . 0.0 111.252 178.087 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 71.7 Cg_exo -55.39 -26.13 51.66 Favored 'Trans proline' 0 N--CA 1.457 -0.641 0 C-N-CA 121.715 1.61 . . . . 0.0 111.294 179.137 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 99.8 mt-10 -66.72 -26.67 67.11 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.284 -179.766 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 80.6 mm-40 -121.78 -7.49 9.02 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.084 -0.507 . . . . 0.0 111.146 -178.95 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 89' ' ' LEU . . . . . 0.426 ' N ' ' O ' ' A' ' 85' ' ' SER . 64.0 tp -108.06 116.96 32.92 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.15 -175.828 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 98.9 mttt -122.54 146.0 47.81 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.226 -175.11 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 64.2 t -124.86 110.48 25.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.214 172.386 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 87.1 tttt -125.79 147.24 49.47 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.169 -171.517 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 61.9 t -111.79 116.35 52.33 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.421 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.131 166.097 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 94' ' ' LEU . . . . . 0.429 ' O ' ' HG ' ' A' ' 94' ' ' LEU . 68.9 tp -105.94 68.64 0.78 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.123 -0.489 . . . . 0.0 111.234 -172.41 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 79.41 -104.91 2.2 Favored Glycine 0 CA--C 1.523 0.591 0 N-CA-C 111.086 -0.805 . . . . 0.0 111.086 173.125 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 89.4 m-20 -88.21 -5.96 58.1 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 120.831 0.348 . . . . 0.0 111.261 -178.315 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . 28.9 m -123.11 164.85 20.05 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.171 178.824 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 98' ' ' ILE . . . . . . . . . . . . . 91.4 mt -113.78 96.31 4.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.176 175.485 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 86.5 tt0 -83.47 90.15 7.17 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.222 -172.494 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 100' ' ' VAL . . . . . . . . . . . . . 91.8 t -89.05 120.32 37.55 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.228 171.013 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 101' ' ' HIS . . . . . 0.556 ' H ' ' CD2' ' A' ' 101' ' ' HIS . 0.1 OUTLIER -143.62 130.63 20.58 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.17 -165.521 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . -134.25 -173.07 13.03 Favored Glycine 0 CA--C 1.524 0.647 0 N-CA-C 111.164 -0.774 . . . . 0.0 111.164 -171.485 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 87.5 tttt -170.58 120.18 0.57 Allowed 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 120.848 0.356 . . . . 0.0 111.219 172.087 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 104' ' ' HIS . . . . . 0.747 ' HD1' HH11 ' A' ' 107' ' ' ARG . 23.8 t-160 -119.66 111.49 18.11 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.358 -0.383 . . . . 0.0 111.16 170.851 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 99.8 mt-10 -81.18 -59.06 2.79 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.195 -166.443 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 106' ' ' GLU . . . . . 0.414 ' HA ' ' CD1' ' A' ' 113' ' ' PHE . 98.1 mt-10 -90.12 86.79 6.65 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.185 176.998 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 107' ' ' ARG . . . . . 0.747 HH11 ' HD1' ' A' ' 104' ' ' HIS . 59.7 ttt85 -122.7 85.32 2.4 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.133 -174.4 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 108' ' ' GLN . . . . . . . . . . . . . 68.6 tp60 -44.58 123.31 3.55 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.181 177.632 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 9.6 t0 -133.81 -157.87 0.84 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.2 -177.595 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 92.4 mt-10 -67.71 -31.74 71.89 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.18 177.705 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 111' ' ' HIS . . . . . . . . . . . . . 68.7 m80 -119.93 87.29 2.72 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.076 179.398 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 66.08 -133.47 33.99 Favored Glycine 0 CA--C 1.525 0.66 0 N-CA-C 111.143 -0.783 . . . . 0.0 111.143 -176.273 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 113' ' ' PHE . . . . . 0.414 ' CD1' ' HA ' ' A' ' 106' ' ' GLU . 22.9 p90 -118.96 148.62 42.76 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.71 0.291 . . . . 0.0 111.355 166.96 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 114' ' ' ILE . . . . . 0.418 ' HA ' ' O ' ' B' ' 119' ' ' HIS . 45.6 pt -110.87 152.23 12.88 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.37 0 CA-C-N 116.311 -0.404 . . . . 0.0 111.175 -176.233 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 41.0 t -123.03 95.29 4.56 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.235 -0.438 . . . . 0.0 111.194 175.239 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 116' ' ' ARG . . . . . . . . . . . . . 97.0 mtt180 -107.47 117.78 34.98 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.222 -171.843 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 88.9 tt0 -98.62 120.97 39.95 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.22 172.266 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 118' ' ' PHE . . . . . . . . . . . . . 91.9 m-85 -104.39 143.11 33.44 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.218 -166.029 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 119' ' ' HIS . . . . . 0.415 ' O ' ' HA ' ' B' ' 114' ' ' ILE . 49.0 m80 -133.85 156.39 48.16 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.304 -0.407 . . . . 0.0 111.252 155.599 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 120' ' ' ARG . . . . . 0.538 ' CG ' ' O ' ' A' ' 120' ' ' ARG . 13.3 ptp180 -155.64 104.39 2.35 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.172 168.225 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 121' ' ' LYS . . . . . . . . . . . . . 93.6 mttt -90.47 89.53 7.61 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.225 -179.377 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 122' ' ' TYR . . . . . . . . . . . . . 80.1 t80 -88.57 122.97 32.6 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.226 -174.775 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 123' ' ' ARG . . . . . . . . . . . . . 1.5 mpp_? -73.34 138.95 45.68 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.154 -170.55 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 124' ' ' ILE . . . . . . . . . . . . . 84.7 mt -91.34 115.13 63.81 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.298 -173.539 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 125' ' ' PRO . . . . . . . . . . . . . 52.1 Cg_exo -55.44 154.88 22.58 Favored 'Trans proline' 0 N--CA 1.459 -0.534 0 C-N-CA 121.655 1.57 . . . . 0.0 111.218 171.867 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . -64.8 -11.95 42.53 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.232 179.065 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 127' ' ' ASP . . . . . . . . . . . . . 78.9 m-20 -103.06 12.24 36.2 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.101 -0.5 . . . . 0.0 111.135 -179.393 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 128' ' ' VAL . . . . . . . . . . . . . 54.7 t -122.03 138.6 51.74 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.396 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.268 -177.456 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 65.2 t0 -132.09 115.34 15.26 Favored Pre-proline 0 C--N 1.328 -0.357 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.186 -175.667 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 130' ' ' PRO . . . . . . . . . . . . . 90.1 Cg_endo -81.31 5.27 6.37 Favored 'Trans proline' 0 N--CA 1.458 -0.6 0 C-N-CA 121.616 1.544 . . . . 0.0 111.125 -173.826 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 131' ' ' LEU . . . . . . . . . . . . . 94.0 mt -99.12 3.24 46.57 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.175 173.204 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 132' ' ' THR . . . . . . . . . . . . . 69.6 p -114.49 8.37 16.45 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.207 -179.542 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 133' ' ' ILE . . . . . . . . . . . . . 43.3 pt -101.58 153.02 5.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.129 -170.49 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 134' ' ' THR . . . . . . . . . . . . . 62.7 m -134.29 91.29 2.78 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.216 172.475 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 135' ' ' SER . . . . . . . . . . . . . 76.9 p -65.16 157.34 29.0 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.224 179.562 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 136' ' ' SER . . . . . . . . . . . . . 43.3 t -171.67 146.95 2.22 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.216 -176.855 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 137' ' ' LEU . . . . . . . . . . . . . 7.2 mp -103.55 134.14 47.4 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.183 178.944 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 138' ' ' SER . . . . . . . . . . . . . 53.2 p -81.24 176.61 9.61 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.229 178.562 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 139' ' ' SER . . . . . . . . . . . . . 87.3 p -68.43 -16.12 63.79 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.189 175.334 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 140' ' ' ASP . . . . . . . . . . . . . 85.3 m-20 -95.92 -1.51 49.1 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.229 178.006 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 141' ' ' GLY . . . . . . . . . . . . . . . 83.07 33.88 22.48 Favored Glycine 0 CA--C 1.523 0.548 0 N-CA-C 111.277 -0.729 . . . . 0.0 111.277 178.699 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 142' ' ' VAL . . . . . . . . . . . . . 98.2 t -99.7 116.04 42.02 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-O 120.885 0.374 . . . . 0.0 111.114 178.847 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 143' ' ' LEU . . . . . . . . . . . . . 64.7 tp -78.92 121.5 24.96 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.176 176.866 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 144' ' ' THR . . . . . . . . . . . . . 87.0 m -119.36 96.08 5.06 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.212 -175.502 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 145' ' ' VAL . . . . . . . . . . . . . 65.0 t -91.22 118.41 36.46 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.369 0 CA-C-N 116.291 -0.413 . . . . 0.0 111.207 174.181 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 146' ' ' ASP . . . . . . . . . . . . . 3.6 p30 -151.1 142.08 23.0 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.182 -171.078 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 147' ' ' GLY . . . . . . . . . . . . . . . -171.54 151.99 16.68 Favored Glycine 0 CA--C 1.522 0.53 0 N-CA-C 111.228 -0.749 . . . . 0.0 111.228 -176.502 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 148' ' ' PRO . . . . . . . . . . . . . 76.1 Cg_exo -54.56 151.89 29.27 Favored 'Trans proline' 0 N--CA 1.458 -0.601 0 C-N-CA 121.724 1.616 . . . . 0.0 111.231 175.973 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 149' ' ' ARG . . . . . . . . . . . . . 98.4 mtt180 . . . . . 0 C--N 1.329 -0.294 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.213 -179.436 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' B' B ' 67' ' ' GLU . . . . . . . . . . . . . 87.4 tt0 . . . . . 0 N--CA 1.457 -0.075 0 CA-C-O 120.819 0.343 . . . . 0.0 111.147 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' B' B ' 68' ' ' MET . . . . . . . . . . . . . 59.2 ttm -37.57 119.48 0.73 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.176 178.506 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 69' ' ' ARG . . . . . . . . . . . . . 78.9 ttt180 -118.74 117.78 29.82 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.16 -178.052 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 70' ' ' LEU . . . . . . . . . . . . . 9.5 mp -81.38 113.24 19.34 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.258 -179.681 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 71' ' ' GLU . . . . . 0.617 ' O ' ' C ' ' B' ' 72' ' ' LYS . 81.4 mm-40 -85.25 178.52 7.46 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.163 -0.472 . . . . 0.0 111.186 169.997 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 72' ' ' LYS . . . . . 0.617 ' C ' ' O ' ' B' ' 71' ' ' GLU . 88.1 tttt -13.6 -70.43 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.181 -176.883 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 73' ' ' ASP . . . . . . . . . . . . . 57.4 p-10 -142.83 44.4 1.59 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.284 -0.416 . . . . 0.0 111.278 178.326 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 74' ' ' ARG . . . . . . . . . . . . . 79.7 ttt180 -170.88 135.59 1.07 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.216 -175.767 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 75' ' ' PHE . . . . . . . . . . . . . 39.3 p90 -112.36 159.08 19.04 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.201 -176.741 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 76' ' ' SER . . . . . . . . . . . . . 97.5 p -144.3 158.48 43.71 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.283 177.587 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 77' ' ' VAL . . . . . . . . . . . . . 75.6 t -133.85 144.73 34.84 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.17 -176.79 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 78' ' ' ASN . . . . . . . . . . . . . 40.3 t-20 -125.84 103.97 8.07 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.324 176.414 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 79' ' ' LEU . . . . . . . . . . . . . 80.9 mt -115.97 152.52 33.34 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.223 176.888 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 80' ' ' ASP . . . . . . . . . . . . . 60.3 t0 -101.92 113.66 27.08 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.213 -178.787 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 81' ' ' VAL . . . . . . . . . . . . . 20.3 m -132.34 46.25 0.51 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.235 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.259 177.389 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 82' ' ' LYS . . . . . . . . . . . . . 83.9 tttt -79.38 137.94 37.48 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.139 178.735 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 83' ' ' HIS . . . . . . . . . . . . . 67.3 m-70 72.25 34.24 1.41 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.152 -176.072 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 84' ' ' PHE . . . . . . . . . . . . . 65.8 m-85 -122.88 145.59 48.32 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.298 172.737 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 85' ' ' SER . . . . . 0.413 ' O ' ' N ' ' B' ' 89' ' ' LEU . 74.2 m -109.82 151.07 42.14 Favored Pre-proline 0 C--N 1.328 -0.362 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.252 178.152 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 86' ' ' PRO . . . . . . . . . . . . . 72.1 Cg_exo -55.41 -26.2 52.19 Favored 'Trans proline' 0 N--CA 1.457 -0.622 0 C-N-CA 121.77 1.647 . . . . 0.0 111.197 179.158 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 87' ' ' GLU . . . . . . . . . . . . . 99.8 mt-10 -66.83 -26.51 66.96 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.251 -179.77 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 88' ' ' GLU . . . . . . . . . . . . . 80.7 mm-40 -121.84 -7.46 8.99 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.155 -179.019 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 89' ' ' LEU . . . . . 0.413 ' N ' ' O ' ' B' ' 85' ' ' SER . 64.3 tp -108.13 116.99 32.99 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.147 -175.859 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 90' ' ' LYS . . . . . . . . . . . . . 98.9 mttt -122.54 145.97 47.84 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.22 -175.007 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 91' ' ' VAL . . . . . . . . . . . . . 64.0 t -124.85 110.39 24.78 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.367 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.243 172.411 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 92' ' ' LYS . . . . . . . . . . . . . 87.1 tttt -125.73 147.3 49.42 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.139 -171.524 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 93' ' ' VAL . . . . . . . . . . . . . 61.5 t -111.78 116.35 52.3 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.187 166.069 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 94' ' ' LEU . . . . . 0.415 ' O ' ' HG ' ' B' ' 94' ' ' LEU . 68.9 tp -105.97 68.63 0.78 Allowed 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.152 -172.352 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 95' ' ' GLY . . . . . . . . . . . . . . . 79.34 -104.69 2.17 Favored Glycine 0 CA--C 1.523 0.542 0 N-CA-C 111.202 -0.759 . . . . 0.0 111.202 173.13 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 96' ' ' ASP . . . . . . . . . . . . . 89.1 m-20 -88.3 -6.04 58.0 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-O 120.757 0.313 . . . . 0.0 111.159 -178.36 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 97' ' ' VAL . . . . . . . . . . . . . 27.7 m -123.13 164.96 19.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.303 -0.408 . . . . 0.0 111.182 178.771 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 98' ' ' ILE . . . . . . . . . . . . . 91.2 mt -113.84 96.41 4.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.176 175.499 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 99' ' ' GLU . . . . . . . . . . . . . 86.4 tt0 -83.49 90.0 7.15 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.181 -172.408 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 100' ' ' VAL . . . . . . . . . . . . . 92.7 t -89.0 120.35 37.53 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.31 170.977 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 101' ' ' HIS . . . . . 0.559 ' H ' ' CD2' ' B' ' 101' ' ' HIS . 0.1 OUTLIER -143.55 130.47 20.49 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.23 -165.393 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' B' B ' 102' ' ' GLY . . . . . . . . . . . . . . . -134.18 -173.17 13.07 Favored Glycine 0 CA--C 1.523 0.564 0 N-CA-C 111.259 -0.736 . . . . 0.0 111.259 -171.551 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 103' ' ' LYS . . . . . . . . . . . . . 87.5 tttt -170.53 120.19 0.57 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.738 0.304 . . . . 0.0 111.185 171.996 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 104' ' ' HIS . . . . . 0.719 ' HD1' HH11 ' B' ' 107' ' ' ARG . 23.8 t-160 -119.61 111.61 18.28 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.253 170.783 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 105' ' ' GLU . . . . . . . . . . . . . 99.8 mt-10 -81.36 -58.89 2.84 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.298 -0.41 . . . . 0.0 111.211 -166.399 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 106' ' ' GLU . . . . . 0.408 ' HA ' ' CD1' ' B' ' 113' ' ' PHE . 98.1 mt-10 -90.17 86.93 6.67 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.159 176.962 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 107' ' ' ARG . . . . . 0.719 HH11 ' HD1' ' B' ' 104' ' ' HIS . 59.7 ttt85 -122.75 85.21 2.38 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.138 -174.42 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 108' ' ' GLN . . . . . . . . . . . . . 68.8 tp60 -44.47 123.36 3.53 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.216 177.579 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 109' ' ' ASP . . . . . . . . . . . . . 9.6 t0 -133.85 -157.89 0.84 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.151 -177.595 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 110' ' ' GLU . . . . . . . . . . . . . 92.2 mt-10 -67.73 -31.72 71.84 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.212 177.687 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 111' ' ' HIS . . . . . . . . . . . . . 68.0 m80 -119.87 87.15 2.69 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.219 179.29 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 112' ' ' GLY . . . . . . . . . . . . . . . 66.18 -133.47 33.72 Favored Glycine 0 CA--C 1.524 0.636 0 N-CA-C 111.09 -0.804 . . . . 0.0 111.09 -176.302 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 113' ' ' PHE . . . . . 0.408 ' CD1' ' HA ' ' B' ' 106' ' ' GLU . 23.0 p90 -118.95 148.66 42.71 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.742 0.305 . . . . 0.0 111.242 166.96 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 114' ' ' ILE . . . . . 0.415 ' HA ' ' O ' ' A' ' 119' ' ' HIS . 45.7 pt -110.88 152.3 12.88 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.398 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.168 -176.324 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 115' ' ' SER . . . . . . . . . . . . . 40.8 t -123.09 95.27 4.54 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.075 -0.512 . . . . 0.0 111.052 175.388 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 116' ' ' ARG . . . . . . . . . . . . . 97.0 mtt180 -107.47 117.74 34.89 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.227 -171.899 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 117' ' ' GLU . . . . . . . . . . . . . 88.8 tt0 -98.71 121.08 40.19 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.098 172.335 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 118' ' ' PHE . . . . . . . . . . . . . 91.9 m-85 -104.46 143.14 33.42 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.068 -0.515 . . . . 0.0 111.178 -166.055 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 119' ' ' HIS . . . . . 0.418 ' O ' ' HA ' ' A' ' 114' ' ' ILE . 49.1 m80 -133.87 156.27 48.38 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.185 155.707 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 120' ' ' ARG . . . . . 0.549 ' O ' ' CG ' ' B' ' 120' ' ' ARG . 13.3 ptp180 -155.56 104.37 2.36 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.328 168.06 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 121' ' ' LYS . . . . . . . . . . . . . 93.5 mttt -90.37 89.5 7.63 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.3 -179.318 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 122' ' ' TYR . . . . . . . . . . . . . 80.5 t80 -88.47 122.81 32.36 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.327 -174.755 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 123' ' ' ARG . . . . . . . . . . . . . 1.5 mpp_? -73.09 138.91 46.12 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.17 -170.521 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 124' ' ' ILE . . . . . . . . . . . . . 84.8 mt -91.52 115.36 64.33 Favored Pre-proline 0 C--N 1.328 -0.343 0 CA-C-N 116.275 -0.421 . . . . 0.0 111.168 -173.521 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 125' ' ' PRO . . . . . . . . . . . . . 51.8 Cg_exo -55.48 154.93 22.57 Favored 'Trans proline' 0 N--CA 1.459 -0.553 0 C-N-CA 121.747 1.631 . . . . 0.0 111.15 171.916 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 126' ' ' ALA . . . . . . . . . . . . . . . -64.86 -12.01 43.89 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.181 178.999 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 127' ' ' ASP . . . . . . . . . . . . . 78.8 m-20 -103.04 12.18 36.3 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.189 -179.336 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 128' ' ' VAL . . . . . . . . . . . . . 54.7 t -122.02 138.57 51.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.241 -177.472 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 129' ' ' ASP . . . . . . . . . . . . . 65.1 t0 -132.04 115.31 15.31 Favored Pre-proline 0 C--N 1.327 -0.387 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.28 -175.713 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 130' ' ' PRO . . . . . . . . . . . . . 91.9 Cg_endo -81.28 5.21 6.41 Favored 'Trans proline' 0 N--CA 1.457 -0.643 0 C-N-CA 121.668 1.578 . . . . 0.0 111.171 -173.689 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 131' ' ' LEU . . . . . . . . . . . . . 94.0 mt -98.99 3.1 46.88 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.191 173.197 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 132' ' ' THR . . . . . . . . . . . . . 69.0 p -114.39 8.39 16.59 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.269 -179.553 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 133' ' ' ILE . . . . . . . . . . . . . 43.2 pt -101.63 152.98 5.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.141 -170.525 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 134' ' ' THR . . . . . . . . . . . . . 63.7 m -134.34 91.35 2.78 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.241 172.449 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 135' ' ' SER . . . . . . . . . . . . . 77.3 p -65.26 157.33 29.26 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.187 179.59 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 136' ' ' SER . . . . . . . . . . . . . 43.0 t -171.65 146.98 2.24 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.104 -176.805 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 137' ' ' LEU . . . . . . . . . . . . . 7.2 mp -103.62 134.17 47.41 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.175 178.955 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 138' ' ' SER . . . . . . . . . . . . . 53.1 p -81.32 176.58 9.61 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.275 -0.42 . . . . 0.0 111.204 178.586 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 139' ' ' SER . . . . . . . . . . . . . 87.3 p -68.41 -16.11 63.8 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.151 175.425 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 140' ' ' ASP . . . . . . . . . . . . . 85.3 m-20 -95.85 -1.52 49.32 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.282 177.889 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 141' ' ' GLY . . . . . . . . . . . . . . . 83.15 33.91 22.16 Favored Glycine 0 CA--C 1.523 0.577 0 N-CA-C 111.2 -0.76 . . . . 0.0 111.2 178.612 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 142' ' ' VAL . . . . . . . . . . . . . 99.9 t -99.8 116.15 42.42 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.237 0 CA-C-O 120.858 0.361 . . . . 0.0 111.146 178.791 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 143' ' ' LEU . . . . . . . . . . . . . 64.9 tp -78.93 121.71 25.23 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.127 176.902 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 144' ' ' THR . . . . . . . . . . . . . 85.7 m -119.57 96.05 5.04 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.235 -175.561 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 145' ' ' VAL . . . . . . . . . . . . . 64.6 t -91.15 118.5 36.54 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.271 174.174 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 146' ' ' ASP . . . . . . . . . . . . . 3.6 p30 -151.15 141.98 22.86 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.255 -171.072 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 147' ' ' GLY . . . . . . . . . . . . . . . -171.39 152.04 16.96 Favored Glycine 0 CA--C 1.523 0.558 0 N-CA-C 111.181 -0.767 . . . . 0.0 111.181 -176.436 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 148' ' ' PRO . . . . . . . . . . . . . 76.3 Cg_exo -54.57 151.86 29.39 Favored 'Trans proline' 0 N--CA 1.459 -0.551 0 C-N-CA 121.735 1.624 . . . . 0.0 111.178 175.937 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 149' ' ' ARG . . . . . . . . . . . . . 98.4 mtt180 . . . . . 0 C--N 1.328 -0.35 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.32 -179.583 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 85.6 tt0 . . . . . 0 C--O 1.231 0.111 0 CA-C-O 120.737 0.303 . . . . 0.0 111.206 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 68' ' ' MET . . . . . . . . . . . . . 27.0 ptm -153.95 159.4 41.68 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.102 178.968 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 79.1 ttt180 -127.75 82.66 2.1 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.177 -178.133 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 57.9 tp -100.67 112.1 24.45 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.264 173.544 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 71' ' ' GLU . . . . . 0.409 ' HB3' ' H ' ' A' ' 72' ' ' LYS . 91.2 mt-10 -114.56 -149.85 0.45 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.305 -178.883 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 72' ' ' LYS . . . . . 0.409 ' H ' ' HB3' ' A' ' 71' ' ' GLU . 98.5 mttt -73.01 -28.47 62.38 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.2 176.575 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 56.1 p-10 -151.89 33.79 0.54 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.155 179.532 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 91.3 mmt-85 -135.3 153.74 51.78 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.307 -0.406 . . . . 0.0 111.262 178.876 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 75' ' ' PHE . . . . . . . . . . . . . 57.6 t80 -163.88 119.69 1.63 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.307 -0.406 . . . . 0.0 111.275 175.473 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 40.4 t -146.29 143.65 29.3 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.267 -179.342 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 99.0 t -124.49 121.42 61.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.21 -175.137 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 57.0 t-20 -89.81 113.99 25.64 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.168 175.651 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 63.3 mt -113.2 146.36 39.43 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.246 -176.52 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 67.6 t0 -102.87 107.05 17.75 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.157 -172.178 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 30.4 m -147.55 34.3 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.273 176.012 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 98.7 mttt -65.4 -21.41 66.67 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.114 -168.776 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 73.8 m80 -94.75 0.29 54.84 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.309 -0.405 . . . . 0.0 111.187 -172.853 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 84' ' ' PHE . . . . . . . . . . . . . 13.1 m-85 -107.2 169.22 8.69 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.177 -169.675 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 72.6 m -104.74 157.45 34.14 Favored Pre-proline 0 C--N 1.33 -0.277 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.114 173.065 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 72.6 Cg_exo -54.09 -33.48 74.04 Favored 'Trans proline' 0 N--CA 1.457 -0.628 0 C-N-CA 121.666 1.578 . . . . 0.0 111.232 177.378 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 99.4 mt-10 -78.38 -21.81 48.83 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.207 179.089 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 95.2 mt-10 -85.14 -17.06 38.42 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.16 176.464 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -96.04 103.92 15.84 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.229 -0.442 . . . . 0.0 111.215 -176.868 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 99.2 mttt -95.19 69.36 3.16 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.222 172.765 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 75.5 t -73.53 109.1 5.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.244 -176.734 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 98.6 mttt -124.95 165.04 18.82 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.197 -170.572 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 33.8 m -127.13 154.49 37.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.236 168.977 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 94' ' ' LEU . . . . . 0.441 ' HB2' ' CG2' ' A' ' 97' ' ' VAL . 82.7 mt -127.85 67.1 1.34 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.169 177.999 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 92.36 -92.78 1.71 Allowed Glycine 0 CA--C 1.524 0.638 0 N-CA-C 111.232 -0.747 . . . . 0.0 111.232 178.097 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 46.3 p-10 -115.91 23.61 12.11 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.798 0.332 . . . . 0.0 111.229 177.615 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 97' ' ' VAL . . . . . 0.441 ' CG2' ' HB2' ' A' ' 94' ' ' LEU . 22.2 m -133.02 165.04 33.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.118 176.225 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 98' ' ' ILE . . . . . . . . . . . . . 64.5 mt -121.9 86.75 1.05 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.126 -174.896 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 39.7 tt0 -74.92 94.03 2.76 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.24 -179.114 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 100' ' ' VAL . . . . . 0.446 ' HB ' ' HB2' ' A' ' 120' ' ' ARG . 46.6 t -81.26 103.41 8.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.297 -0.411 . . . . 0.0 111.276 178.549 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 101' ' ' HIS . . . . . 0.477 ' O ' ' CD2' ' A' ' 101' ' ' HIS . 7.9 t-160 -102.83 64.58 0.87 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.108 -172.523 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . -76.27 153.41 43.04 Favored Glycine 0 CA--C 1.523 0.546 0 N-CA-C 111.166 -0.774 . . . . 0.0 111.166 175.928 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 103' ' ' LYS . . . . . 0.44 ' HA ' ' HA ' ' A' ' 117' ' ' GLU . 86.0 tttt -153.58 114.56 4.09 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.806 0.336 . . . . 0.0 111.156 -170.946 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 104' ' ' HIS . . . . . 0.635 ' HD1' ' HE ' ' A' ' 116' ' ' ARG . 13.9 m170 -81.71 155.56 25.47 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.293 157.42 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 88.6 tt0 -151.45 132.01 13.9 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.225 170.525 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 95.1 mt-10 58.75 54.63 5.13 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.123 -175.551 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 23.6 ttt180 -114.38 105.98 13.77 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.99 0.424 . . . . 0.0 111.133 -174.913 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 108' ' ' GLN . . . . . . . . . . . . . 65.4 tp60 -66.45 106.73 1.83 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.178 178.467 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 51.6 p-10 -116.54 -147.73 0.42 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.196 176.371 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 15.8 pm0 -66.47 -27.76 68.05 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.338 -177.695 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 111' ' ' HIS . . . . . . . . . . . . . 95.6 m-70 -96.97 -52.19 3.96 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.18 -177.399 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 173.56 -159.01 28.67 Favored Glycine 0 CA--C 1.523 0.573 0 N-CA-C 111.194 -0.763 . . . . 0.0 111.194 -166.711 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 113' ' ' PHE . . . . . . . . . . . . . 65.8 m-85 -84.93 96.66 9.42 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.732 0.301 . . . . 0.0 111.244 177.756 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 114' ' ' ILE . . . . . 0.435 HG22 ' HA ' ' B' ' 120' ' ' ARG . 26.7 pt -89.0 164.61 2.18 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.362 0 CA-C-N 116.297 -0.41 . . . . 0.0 111.135 -172.666 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 31.1 t -142.25 92.12 2.4 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.066 -0.516 . . . . 0.0 111.208 164.788 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 116' ' ' ARG . . . . . 0.686 ' O ' ' HG3' ' A' ' 116' ' ' ARG . 32.1 ptt180 -108.72 75.77 0.98 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.185 -164.649 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 117' ' ' GLU . . . . . 0.44 ' HA ' ' HA ' ' A' ' 103' ' ' LYS . 14.0 pt-20 -72.54 148.29 45.13 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.196 175.553 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 118' ' ' PHE . . . . . . . . . . . . . 52.5 m-85 -117.08 169.29 9.55 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.238 -174.6 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 119' ' ' HIS . . . . . . . . . . . . . 78.3 m80 -143.46 60.9 1.39 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.225 163.063 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 120' ' ' ARG . . . . . 0.446 ' HB2' ' HB ' ' A' ' 100' ' ' VAL . 96.6 mtt180 -75.93 85.2 2.86 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.202 -165.211 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 121' ' ' LYS . . . . . . . . . . . . . 41.3 ttmt -67.12 76.87 0.14 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.169 -177.259 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 122' ' ' TYR . . . . . 0.469 ' CD1' ' C ' ' A' ' 122' ' ' TYR . 1.8 t80 -80.18 104.98 11.11 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.273 -177.848 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 123' ' ' ARG . . . . . . . . . . . . . 57.7 mtm180 -86.9 139.36 30.71 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.216 -158.362 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 124' ' ' ILE . . . . . . . . . . . . . 78.3 mt -90.8 131.03 38.72 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.186 -173.497 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 125' ' ' PRO . . . . . . . . . . . . . 84.1 Cg_exo -49.9 144.48 21.08 Favored 'Trans proline' 0 N--CA 1.458 -0.596 0 C-N-CA 121.709 1.606 . . . . 0.0 111.193 175.508 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . -64.35 -11.63 34.4 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.139 -179.578 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 127' ' ' ASP . . . . . . . . . . . . . 82.4 m-20 -99.4 11.12 40.0 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.303 -0.408 . . . . 0.0 111.234 -179.774 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 128' ' ' VAL . . . . . . . . . . . . . 73.9 t -125.37 136.42 60.89 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.246 -178.964 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 59.9 t0 -86.92 117.24 68.36 Favored Pre-proline 0 C--N 1.329 -0.326 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.216 -174.344 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 130' ' ' PRO . . . . . . . . . . . . . 72.2 Cg_endo -76.78 -7.87 17.73 Favored 'Trans proline' 0 N--CA 1.458 -0.563 0 C-N-CA 121.65 1.567 . . . . 0.0 111.238 -173.522 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 131' ' ' LEU . . . . . . . . . . . . . 92.9 mt -99.43 6.27 46.05 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.127 -177.77 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 132' ' ' THR . . . . . . . . . . . . . 66.8 p -123.38 13.05 9.49 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.228 -178.995 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 133' ' ' ILE . . . . . . . . . . . . . 37.7 pt -97.1 146.23 7.84 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.137 -179.572 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 134' ' ' THR . . . . . . . . . . . . . 89.6 m -139.38 97.39 3.27 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.138 -176.838 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 135' ' ' SER . . . . . . . . . . . . . 66.3 p -66.56 156.08 35.97 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.273 173.359 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 136' ' ' SER . . . . . . . . . . . . . 97.5 p -164.24 157.9 18.35 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.18 -179.853 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 137' ' ' LEU . . . . . . . . . . . . . 94.2 mt -114.77 152.78 31.52 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.075 -177.411 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 138' ' ' SER . . . . . 0.651 ' HG ' ' H ' ' A' ' 140' ' ' ASP . 28.4 p -108.05 -179.52 3.92 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.239 175.813 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 139' ' ' SER . . . . . . . . . . . . . 86.7 p -69.25 -17.22 63.73 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.287 -0.415 . . . . 0.0 111.121 176.036 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 140' ' ' ASP . . . . . 0.651 ' H ' ' HG ' ' A' ' 138' ' ' SER . 85.4 m-20 -97.71 -6.24 33.42 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.053 178.823 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 141' ' ' GLY . . . . . . . . . . . . . . . 88.85 25.33 29.91 Favored Glycine 0 CA--C 1.524 0.619 0 N-CA-C 111.294 -0.722 . . . . 0.0 111.294 -179.761 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 142' ' ' VAL . . . . . . . . . . . . . 98.4 t -81.03 104.17 9.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-O 120.885 0.374 . . . . 0.0 111.147 179.329 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 143' ' ' LEU . . . . . . . . . . . . . 60.4 tp -87.68 120.96 29.52 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.244 178.514 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 144' ' ' THR . . . . . . . . . . . . . 91.0 m -133.52 117.63 17.36 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.299 179.067 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 145' ' ' VAL . . . . . . . . . . . . . 7.4 p -110.68 135.15 50.67 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.115 174.889 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 146' ' ' ASP . . . . . 0.51 ' O ' ' OD1' ' A' ' 146' ' ' ASP . 20.2 p30 -162.08 143.21 10.67 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.212 -164.977 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 147' ' ' GLY . . . . . . . . . . . . . . . -166.36 149.04 14.44 Favored Glycine 0 CA--C 1.522 0.518 0 N-CA-C 111.256 -0.738 . . . . 0.0 111.256 -175.617 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 148' ' ' PRO . . . . . . . . . . . . . 88.8 Cg_exo -56.68 147.07 73.32 Favored 'Trans proline' 0 N--CA 1.458 -0.567 0 C-N-CA 121.714 1.609 . . . . 0.0 111.247 -177.416 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 149' ' ' ARG . . . . . . . . . . . . . 67.7 mtp180 . . . . . 0 C--N 1.33 -0.263 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.225 173.338 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' B' B ' 67' ' ' GLU . . . . . . . . . . . . . 85.6 tt0 . . . . . 0 N--CA 1.456 -0.129 0 CA-C-O 120.753 0.311 . . . . 0.0 111.202 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' B' B ' 68' ' ' MET . . . . . . . . . . . . . 27.0 ptm -153.81 159.49 41.88 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.088 178.958 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 69' ' ' ARG . . . . . . . . . . . . . 79.1 ttt180 -127.78 82.67 2.1 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.112 -178.173 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 70' ' ' LEU . . . . . . . . . . . . . 57.5 tp -100.76 112.27 24.64 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.182 173.565 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 71' ' ' GLU . . . . . . . . . . . . . 91.4 mt-10 -114.7 -149.79 0.45 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.162 -178.818 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 72' ' ' LYS . . . . . . . . . . . . . 98.5 mttt -73.08 -28.47 62.31 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.215 176.654 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 73' ' ' ASP . . . . . . . . . . . . . 55.9 p-10 -151.89 33.76 0.54 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.067 -0.515 . . . . 0.0 111.105 179.546 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 74' ' ' ARG . . . . . . . . . . . . . 91.3 mmt-85 -135.19 153.76 51.84 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.314 -0.403 . . . . 0.0 111.278 178.735 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 75' ' ' PHE . . . . . . . . . . . . . 58.2 t80 -163.79 119.82 1.66 Allowed 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.288 175.411 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 76' ' ' SER . . . . . . . . . . . . . 40.4 t -146.37 143.72 29.26 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.119 -179.266 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 77' ' ' VAL . . . . . . . . . . . . . 99.1 t -124.68 121.27 60.96 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.368 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.229 -175.196 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 78' ' ' ASN . . . . . . . . . . . . . 56.8 t-20 -89.64 114.1 25.66 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.086 -0.506 . . . . 0.0 111.198 175.601 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 79' ' ' LEU . . . . . . . . . . . . . 64.0 mt -113.28 146.35 39.52 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.162 -176.523 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 80' ' ' ASP . . . . . . . . . . . . . 67.6 t0 -102.86 107.04 17.74 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.118 -172.161 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 81' ' ' VAL . . . . . . . . . . . . . 30.2 m -147.55 34.17 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.257 176.061 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 82' ' ' LYS . . . . . . . . . . . . . 98.8 mttt -65.23 -21.45 66.75 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.307 -168.837 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 83' ' ' HIS . . . . . . . . . . . . . 73.8 m80 -94.68 0.17 54.84 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.209 -172.839 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 84' ' ' PHE . . . . . . . . . . . . . 13.1 m-85 -107.14 169.22 8.69 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.21 -169.645 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 85' ' ' SER . . . . . . . . . . . . . 73.0 m -104.68 157.35 34.32 Favored Pre-proline 0 C--N 1.328 -0.368 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.231 172.991 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 86' ' ' PRO . . . . . . . . . . . . . 73.6 Cg_exo -54.14 -33.34 73.98 Favored 'Trans proline' 0 N--CA 1.458 -0.588 0 C-N-CA 121.611 1.541 . . . . 0.0 111.24 177.408 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 87' ' ' GLU . . . . . . . . . . . . . 99.4 mt-10 -78.39 -21.86 48.72 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.202 179.012 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 88' ' ' GLU . . . . . . . . . . . . . 95.2 mt-10 -85.1 -17.06 38.49 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.202 176.429 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 89' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -96.07 103.96 15.88 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.142 -176.82 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 90' ' ' LYS . . . . . . . . . . . . . 99.3 mttt -95.29 69.47 3.13 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.285 172.712 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 91' ' ' VAL . . . . . . . . . . . . . 75.2 t -73.47 109.09 5.41 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.367 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.098 -176.604 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 92' ' ' LYS . . . . . . . . . . . . . 98.6 mttt -125.05 165.12 18.75 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.172 -170.712 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 93' ' ' VAL . . . . . . . . . . . . . 33.9 m -127.23 154.53 37.6 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.305 168.901 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 94' ' ' LEU . . . . . 0.432 ' HB2' ' CG2' ' B' ' 97' ' ' VAL . 83.0 mt -127.79 67.26 1.33 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.181 178.045 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 95' ' ' GLY . . . . . . . . . . . . . . . 92.27 -92.79 1.72 Allowed Glycine 0 CA--C 1.522 0.525 0 N-CA-C 111.207 -0.757 . . . . 0.0 111.207 178.078 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 96' ' ' ASP . . . . . . . . . . . . . 46.3 p-10 -115.94 23.61 12.1 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.814 0.34 . . . . 0.0 111.189 177.714 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 97' ' ' VAL . . . . . 0.432 ' CG2' ' HB2' ' B' ' 94' ' ' LEU . 22.2 m -133.11 165.03 33.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.154 176.139 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 98' ' ' ILE . . . . . . . . . . . . . 64.8 mt -121.91 86.88 1.06 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.181 -174.89 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 99' ' ' GLU . . . . . . . . . . . . . 39.7 tt0 -75.02 94.06 2.81 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.245 -179.053 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 100' ' ' VAL . . . . . 0.469 ' HB ' ' HB2' ' B' ' 120' ' ' ARG . 46.8 t -81.31 103.45 8.4 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.396 0 CA-C-N 116.266 -0.424 . . . . 0.0 111.102 178.703 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 101' ' ' HIS . . . . . 0.47 ' CD2' ' O ' ' B' ' 101' ' ' HIS . 7.9 t-160 -102.86 64.6 0.87 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.178 -172.705 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 102' ' ' GLY . . . . . . . . . . . . . . . -76.27 153.39 43.0 Favored Glycine 0 CA--C 1.523 0.564 0 N-CA-C 111.176 -0.769 . . . . 0.0 111.176 175.84 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 103' ' ' LYS . . . . . 0.423 ' HA ' ' HA ' ' B' ' 117' ' ' GLU . 85.9 tttt -153.56 114.59 4.1 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.938 0.399 . . . . 0.0 111.144 -170.915 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 104' ' ' HIS . . . . . 0.629 ' HD1' ' HE ' ' B' ' 116' ' ' ARG . 13.7 m170 -81.73 155.62 25.42 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.16 157.507 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 105' ' ' GLU . . . . . . . . . . . . . 88.6 tt0 -151.44 132.08 13.96 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.245 170.434 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 106' ' ' GLU . . . . . . . . . . . . . 95.1 mt-10 58.73 54.54 5.21 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.117 -175.587 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 107' ' ' ARG . . . . . . . . . . . . . 23.5 ttt180 -114.13 105.79 13.61 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.255 -0.429 . . . . 0.0 111.222 -174.98 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 108' ' ' GLN . . . . . . . . . . . . . 65.6 tp60 -66.32 106.84 1.81 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.297 178.294 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 109' ' ' ASP . . . . . . . . . . . . . 51.6 p-10 -116.51 -147.77 0.42 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.162 176.419 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 110' ' ' GLU . . . . . . . . . . . . . 15.6 pm0 -66.64 -27.79 67.96 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.069 -0.514 . . . . 0.0 111.173 -177.572 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 111' ' ' HIS . . . . . . . . . . . . . 95.4 m-70 -96.89 -52.22 3.97 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.205 -177.393 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 112' ' ' GLY . . . . . . . . . . . . . . . 173.55 -159.09 28.8 Favored Glycine 0 CA--C 1.524 0.627 0 N-CA-C 111.209 -0.756 . . . . 0.0 111.209 -166.768 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 113' ' ' PHE . . . . . . . . . . . . . 66.2 m-85 -84.85 96.72 9.4 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.775 0.322 . . . . 0.0 111.324 177.725 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 114' ' ' ILE . . . . . 0.434 HG22 ' HA ' ' A' ' 120' ' ' ARG . 26.3 pt -88.97 164.62 2.18 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.366 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.174 -172.635 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 115' ' ' SER . . . . . . . . . . . . . 30.9 t -142.29 92.02 2.39 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.159 164.876 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 116' ' ' ARG . . . . . 0.668 ' O ' ' HG3' ' B' ' 116' ' ' ARG . 32.0 ptt180 -108.64 75.72 0.98 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.103 -0.499 . . . . 0.0 111.247 -164.689 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 117' ' ' GLU . . . . . 0.423 ' HA ' ' HA ' ' B' ' 103' ' ' LYS . 13.9 pt-20 -72.66 148.44 44.78 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.198 175.621 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 118' ' ' PHE . . . . . . . . . . . . . 52.4 m-85 -117.21 169.24 9.62 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.141 -174.501 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 119' ' ' HIS . . . . . . . . . . . . . 78.1 m80 -143.35 60.87 1.4 Allowed 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.248 163.03 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 120' ' ' ARG . . . . . 0.469 ' HB2' ' HB ' ' B' ' 100' ' ' VAL . 96.7 mtt180 -75.9 85.37 2.84 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.142 -165.24 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 121' ' ' LYS . . . . . . . . . . . . . 41.3 ttmt -67.26 76.81 0.15 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.306 -177.328 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 122' ' ' TYR . . . . . 0.461 ' C ' ' CD1' ' B' ' 122' ' ' TYR . 1.8 t80 -80.02 104.91 10.91 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.184 -177.77 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 123' ' ' ARG . . . . . . . . . . . . . 57.8 mtm180 -86.95 139.24 30.8 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.203 -158.478 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 124' ' ' ILE . . . . . . . . . . . . . 78.4 mt -90.68 131.08 38.81 Favored Pre-proline 0 C--N 1.33 -0.249 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.263 -173.526 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 125' ' ' PRO . . . . . . . . . . . . . 83.0 Cg_exo -50.04 144.6 21.59 Favored 'Trans proline' 0 N--CA 1.458 -0.612 0 C-N-CA 121.62 1.546 . . . . 0.0 111.223 175.553 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 126' ' ' ALA . . . . . . . . . . . . . . . -64.39 -11.59 34.41 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.197 -179.51 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 127' ' ' ASP . . . . . . . . . . . . . 82.3 m-20 -99.37 11.13 39.98 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.234 -179.787 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 128' ' ' VAL . . . . . . . . . . . . . 74.9 t -125.33 136.39 60.99 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.38 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.267 -178.875 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 129' ' ' ASP . . . . . . . . . . . . . 60.2 t0 -87.1 117.38 68.54 Favored Pre-proline 0 C--N 1.328 -0.35 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.073 -174.285 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 130' ' ' PRO . . . . . . . . . . . . . 73.4 Cg_endo -76.75 -8.0 17.82 Favored 'Trans proline' 0 N--CA 1.458 -0.604 0 C-N-CA 121.649 1.566 . . . . 0.0 111.227 -173.561 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 131' ' ' LEU . . . . . . . . . . . . . 92.6 mt -99.2 6.0 46.52 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.171 -177.797 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 132' ' ' THR . . . . . . . . . . . . . 67.1 p -123.19 12.99 9.61 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.339 -0.392 . . . . 0.0 111.183 -178.883 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 133' ' ' ILE . . . . . . . . . . . . . 37.5 pt -97.16 146.14 8.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.151 -179.444 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 134' ' ' THR . . . . . . . . . . . . . 87.2 m -139.25 97.25 3.25 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.22 -176.729 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 135' ' ' SER . . . . . . . . . . . . . 67.6 p -66.58 156.08 36.02 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.232 173.478 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 136' ' ' SER . . . . . . . . . . . . . 97.6 p -164.2 157.86 18.42 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.124 -179.758 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 137' ' ' LEU . . . . . . . . . . . . . 94.1 mt -114.73 152.75 31.5 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.148 -177.486 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 138' ' ' SER . . . . . 0.646 ' HG ' ' H ' ' B' ' 140' ' ' ASP . 28.9 p -108.01 -179.37 3.88 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.22 175.826 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 139' ' ' SER . . . . . . . . . . . . . 86.5 p -69.27 -17.42 63.75 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.14 176.017 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 140' ' ' ASP . . . . . 0.646 ' H ' ' HG ' ' B' ' 138' ' ' SER . 85.3 m-20 -97.51 -6.42 33.72 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.138 178.877 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 141' ' ' GLY . . . . . . . . . . . . . . . 88.89 25.4 29.64 Favored Glycine 0 CA--C 1.524 0.634 0 N-CA-C 111.264 -0.734 . . . . 0.0 111.264 -179.721 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 142' ' ' VAL . . . . . . . . . . . . . 98.4 t -80.94 103.99 8.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-O 120.886 0.374 . . . . 0.0 111.185 179.26 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 143' ' ' LEU . . . . . . . . . . . . . 59.7 tp -87.57 121.16 29.65 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.176 178.55 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 144' ' ' THR . . . . . . . . . . . . . 91.3 m -133.68 117.45 17.0 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.183 179.254 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 145' ' ' VAL . . . . . . . . . . . . . 7.5 p -110.72 135.15 50.7 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.134 174.853 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 146' ' ' ASP . . . . . 0.515 ' O ' ' OD1' ' B' ' 146' ' ' ASP . 20.2 p30 -162.07 143.21 10.68 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.181 -164.897 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 147' ' ' GLY . . . . . . . . . . . . . . . -166.35 149.01 14.37 Favored Glycine 0 CA--C 1.525 0.661 0 N-CA-C 111.158 -0.777 . . . . 0.0 111.158 -175.57 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 148' ' ' PRO . . . . . . . . . . . . . 87.0 Cg_exo -56.57 147.22 71.2 Favored 'Trans proline' 0 N--CA 1.459 -0.519 0 C-N-CA 121.59 1.527 . . . . 0.0 111.291 -177.536 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 149' ' ' ARG . . . . . . . . . . . . . 67.6 mtp180 . . . . . 0 C--N 1.327 -0.378 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.24 173.264 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 79.9 mm-40 . . . . . 0 C--O 1.232 0.155 0 CA-C-O 120.762 0.315 . . . . 0.0 111.106 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 68' ' ' MET . . . . . . . . . . . . . 59.9 ttm -72.89 123.43 23.4 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.318 -0.401 . . . . 0.0 111.236 177.609 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 78.1 ttt180 -121.9 115.08 21.94 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.245 174.996 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 62.7 tp -78.13 105.68 9.51 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.178 178.829 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 71' ' ' GLU . . . . . 0.532 ' O ' ' C ' ' A' ' 72' ' ' LYS . 80.9 mm-40 -70.6 -177.55 1.55 Allowed 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.266 167.023 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 72' ' ' LYS . . . . . 0.532 ' C ' ' O ' ' A' ' 71' ' ' GLU . 88.0 tttt -27.26 -61.66 0.09 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.302 -0.408 . . . . 0.0 111.15 -176.456 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 58.1 p-10 -144.55 44.59 1.4 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.276 -177.595 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 20.6 ptp180 -178.57 144.27 0.28 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.158 -178.09 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 75' ' ' PHE . . . . . 0.437 ' C ' ' CD1' ' A' ' 75' ' ' PHE . 7.4 p90 -108.36 155.47 20.5 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.292 -0.413 . . . . 0.0 111.191 -173.016 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 38.1 t -138.2 125.99 22.4 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.197 174.076 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 64.1 t -98.87 109.74 24.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.212 -174.377 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 62.2 t-20 -84.62 85.63 7.4 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.193 -178.809 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 74.5 mt -77.83 135.71 37.98 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.257 -172.985 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 66.1 t0 -91.22 117.92 30.03 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.19 -177.938 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 85.5 t -107.33 114.57 46.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.061 -0.518 . . . . 0.0 111.233 176.026 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 88.1 tttt -106.58 93.77 4.77 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.218 -173.738 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 79.8 m-70 61.84 49.93 4.53 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.218 175.035 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 84' ' ' PHE . . . . . . . . . . . . . 91.5 m-85 -119.93 149.43 42.13 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.314 172.37 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 85' ' ' SER . . . . . 0.432 ' O ' ' HG ' ' A' ' 89' ' ' LEU . 67.8 m -91.86 137.53 25.32 Favored Pre-proline 0 C--N 1.328 -0.348 0 CA-C-N 116.33 -0.395 . . . . 0.0 111.144 -178.862 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 55.7 Cg_endo -67.9 -15.57 44.0 Favored 'Trans proline' 0 N--CA 1.457 -0.64 0 C-N-CA 121.641 1.561 . . . . 0.0 111.252 179.74 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 99.0 mt-10 -78.43 -15.25 58.86 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.234 172.338 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 73.0 mt-10 -120.58 -4.58 9.79 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.214 -179.119 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 89' ' ' LEU . . . . . 0.432 ' HG ' ' O ' ' A' ' 85' ' ' SER . 91.5 mt -82.36 140.22 33.64 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.14 170.283 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 97.8 mttt -134.62 64.88 1.58 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.125 -0.488 . . . . 0.0 111.125 -179.261 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 13.3 p -60.27 135.35 25.03 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.286 -0.415 . . . . 0.0 111.192 178.411 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 92' ' ' LYS . . . . . 0.412 ' O ' ' N ' ' A' ' 99' ' ' GLU . 86.8 tttt -153.68 156.73 38.4 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.235 -173.013 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 33.7 m -124.42 160.72 28.65 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.214 167.608 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 25.2 tp -144.93 70.67 1.28 Allowed 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.191 177.925 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 82.08 -103.14 2.34 Favored Glycine 0 CA--C 1.523 0.571 0 N-CA-C 111.216 -0.753 . . . . 0.0 111.216 179.714 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 51.2 p-10 -103.44 21.3 16.26 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.849 0.357 . . . . 0.0 111.236 -177.385 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 97' ' ' VAL . . . . . 0.424 ' HA ' ' HA ' ' A' ' 123' ' ' ARG . 33.9 m -131.22 162.32 39.48 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.215 171.748 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 98' ' ' ILE . . . . . . . . . . . . . 63.4 mt -118.08 94.5 3.11 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.38 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.236 172.842 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 99' ' ' GLU . . . . . 0.412 ' N ' ' O ' ' A' ' 92' ' ' LYS . 57.2 mt-10 -72.45 78.81 1.04 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.361 -0.381 . . . . 0.0 111.208 -176.052 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 100' ' ' VAL . . . . . 0.415 ' HB ' ' HB2' ' A' ' 120' ' ' ARG . 47.8 t -76.77 77.92 0.62 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.167 -178.22 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 101' ' ' HIS . . . . . . . . . . . . . 63.5 t-80 -81.59 151.11 27.83 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.058 176.085 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . -179.15 161.05 26.95 Favored Glycine 0 CA--C 1.521 0.461 0 N-CA-C 111.217 -0.753 . . . . 0.0 111.217 177.158 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 103' ' ' LYS . . . . . 0.448 ' HA ' ' O ' ' A' ' 116' ' ' ARG . 64.2 pttt -156.2 151.87 27.14 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-O 120.778 0.323 . . . . 0.0 111.172 176.451 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 104' ' ' HIS . . . . . . . . . . . . . 27.0 t-80 -129.59 115.25 17.12 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.284 -0.416 . . . . 0.0 111.19 161.837 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 105' ' ' GLU . . . . . 0.566 ' O ' ' C ' ' A' ' 106' ' ' GLU . 98.2 mt-10 -66.43 -175.52 0.37 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.254 -177.516 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 106' ' ' GLU . . . . . 0.566 ' C ' ' O ' ' A' ' 105' ' ' GLU . 99.3 mt-10 -25.64 116.44 0.06 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.266 -0.425 . . . . 0.0 111.152 -170.964 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 54.1 ttp180 -134.9 74.77 1.54 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.113 -161.574 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 108' ' ' GLN . . . . . . . . . . . . . 73.6 tp60 -45.48 109.44 0.17 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.154 178.28 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 14.3 t0 -164.15 -136.73 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.193 -172.722 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 99.7 mt-10 -46.22 -64.46 0.75 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.252 -178.306 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 111' ' ' HIS . . . . . . . . . . . . . 69.8 m80 -111.43 79.8 1.25 Allowed 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.103 -175.966 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 55.34 -134.1 48.89 Favored Glycine 0 CA--C 1.522 0.529 0 N-CA-C 111.209 -0.757 . . . . 0.0 111.209 -178.483 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 113' ' ' PHE . . . . . 0.486 ' O ' ' N ' ' B' ' 121' ' ' LYS . 97.5 m-85 -89.17 130.07 35.66 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.78 0.324 . . . . 0.0 111.223 172.36 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 114' ' ' ILE . . . . . . . . . . . . . 5.1 mp -118.57 99.24 7.57 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 CA-C-N 116.294 -0.412 . . . . 0.0 111.105 -178.532 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 46.3 t -92.98 94.2 8.77 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.295 174.961 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 116' ' ' ARG . . . . . 0.448 ' O ' ' HA ' ' A' ' 103' ' ' LYS . 42.4 ttm180 -121.48 104.58 9.77 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.154 -162.724 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 85.9 tt0 -101.74 121.17 41.55 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.166 175.378 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 118' ' ' PHE . . . . . 0.43 ' HA ' ' HA ' ' B' ' 116' ' ' ARG . 39.5 p90 -124.73 165.95 17.04 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.345 -171.821 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 119' ' ' HIS . . . . . . . . . . . . . 19.1 t-160 -148.12 81.57 1.48 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.183 -179.904 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 120' ' ' ARG . . . . . 0.415 ' HB2' ' HB ' ' A' ' 100' ' ' VAL . 87.5 mtm180 -86.04 82.1 8.23 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.175 -173.82 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 121' ' ' LYS . . . . . 0.477 ' N ' ' O ' ' B' ' 113' ' ' PHE . 41.7 ttmt -68.59 78.93 0.28 Allowed 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.227 -179.038 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 122' ' ' TYR . . . . . . . . . . . . . 3.4 t80 -72.55 110.18 6.74 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.291 -176.381 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 123' ' ' ARG . . . . . 0.424 ' HA ' ' HA ' ' A' ' 97' ' ' VAL . 49.8 ttt180 -94.08 143.54 26.27 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.116 -159.341 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 124' ' ' ILE . . . . . . . . . . . . . 13.2 mt -109.95 136.56 20.4 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.194 -176.493 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 125' ' ' PRO . . . . . . . . . . . . . 72.1 Cg_exo -46.24 153.32 1.09 Allowed 'Trans proline' 0 N--CA 1.458 -0.574 0 C-N-CA 121.665 1.577 . . . . 0.0 111.199 165.704 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . -77.41 7.64 5.14 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.106 -167.22 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 127' ' ' ASP . . . . . . . . . . . . . 95.2 m-20 -84.02 -8.23 59.19 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.21 -179.374 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 128' ' ' VAL . . . . . . . . . . . . . 10.6 p -78.71 150.2 5.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.207 -171.462 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 64.7 t0 -101.56 109.84 60.23 Favored Pre-proline 0 C--N 1.327 -0.396 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.194 167.464 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 130' ' ' PRO . . . . . . . . . . . . . 94.2 Cg_exo -55.3 -31.52 77.18 Favored 'Trans proline' 0 N--CA 1.458 -0.608 0 C-N-CA 121.708 1.605 . . . . 0.0 111.242 -173.351 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 131' ' ' LEU . . . . . . . . . . . . . 96.7 mt -82.78 -2.84 55.61 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.169 -169.38 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 132' ' ' THR . . . . . . . . . . . . . 70.9 p -112.85 10.83 19.13 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.269 -179.079 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 133' ' ' ILE . . . . . . . . . . . . . 94.2 mt -90.51 125.27 43.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.224 179.152 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 134' ' ' THR . . . . . . . . . . . . . 92.7 m -125.19 124.85 42.63 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.264 -0.425 . . . . 0.0 111.312 178.538 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 135' ' ' SER . . . . . . . . . . . . . 85.0 p -95.11 163.04 13.46 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.31 -0.404 . . . . 0.0 111.166 178.512 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 136' ' ' SER . . . . . . . . . . . . . 44.5 t -153.61 114.61 4.1 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.152 -0.477 . . . . 0.0 111.202 175.664 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 137' ' ' LEU . . . . . . . . . . . . . 50.1 tp -101.69 110.75 22.8 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.249 -175.671 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 138' ' ' SER . . . . . 0.629 ' HG ' ' H ' ' A' ' 140' ' ' ASP . 33.3 t -82.74 143.05 31.15 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.267 171.136 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 139' ' ' SER . . . . . . . . . . . . . 88.5 p -72.46 -10.92 60.39 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.212 179.007 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 140' ' ' ASP . . . . . 0.629 ' H ' ' HG ' ' A' ' 138' ' ' SER . 94.0 m-20 -81.62 -18.23 45.42 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.192 177.971 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 141' ' ' GLY . . . . . . . . . . . . . . . 112.77 11.63 14.14 Favored Glycine 0 CA--C 1.524 0.602 0 N-CA-C 111.326 -0.71 . . . . 0.0 111.326 179.338 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 142' ' ' VAL . . . . . . . . . . . . . 48.9 t -94.76 79.56 1.2 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.241 0 CA-C-O 120.767 0.318 . . . . 0.0 111.259 176.844 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 143' ' ' LEU . . . . . . . . . . . . . 60.0 tp -88.63 124.77 34.39 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.147 176.313 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 144' ' ' THR . . . . . . . . . . . . . 91.5 m -127.37 124.09 37.78 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.176 -177.788 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 145' ' ' VAL . . . . . . . . . . . . . 60.2 t -118.6 118.82 59.2 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.229 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.104 174.728 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 146' ' ' ASP . . . . . 0.434 ' C ' ' OD1' ' A' ' 146' ' ' ASP . 20.7 p30 -134.86 160.89 36.8 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.235 -170.259 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 147' ' ' GLY . . . . . . . . . . . . . . . 176.8 133.8 1.87 Allowed Glycine 0 CA--C 1.524 0.647 0 N-CA-C 111.303 -0.719 . . . . 0.0 111.303 -177.983 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 148' ' ' PRO . . . . . . . . . . . . . 51.9 Cg_exo -58.83 148.33 84.26 Favored 'Trans proline' 0 N--CA 1.457 -0.665 0 C-N-CA 121.782 1.655 . . . . 0.0 111.161 177.639 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 149' ' ' ARG . . . . . . . . . . . . . 34.9 ptt180 . . . . . 0 C--N 1.329 -0.303 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.233 173.448 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' B' B ' 67' ' ' GLU . . . . . . . . . . . . . 79.8 mm-40 . . . . . 0 C--O 1.232 0.149 0 CA-C-O 120.66 0.267 . . . . 0.0 111.095 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' B' B ' 68' ' ' MET . . . . . . . . . . . . . 59.9 ttm -73.04 123.48 23.62 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.222 177.672 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 69' ' ' ARG . . . . . . . . . . . . . 78.2 ttt180 -121.92 115.04 21.86 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.239 175.056 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 70' ' ' LEU . . . . . . . . . . . . . 62.4 tp -78.04 105.84 9.52 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.255 178.761 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 71' ' ' GLU . . . . . 0.533 ' O ' ' C ' ' B' ' 72' ' ' LYS . 80.9 mm-40 -70.79 -177.63 1.64 Allowed 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.244 167.018 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 72' ' ' LYS . . . . . 0.533 ' C ' ' O ' ' B' ' 71' ' ' GLU . 88.0 tttt -27.25 -61.6 0.09 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.192 -176.352 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 73' ' ' ASP . . . . . . . . . . . . . 58.0 p-10 -144.56 44.55 1.39 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.27 -177.555 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 74' ' ' ARG . . . . . . . . . . . . . 20.6 ptp180 -178.58 144.25 0.28 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.195 -178.04 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 75' ' ' PHE . . . . . 0.425 ' CD1' ' C ' ' B' ' 75' ' ' PHE . 7.6 p90 -108.48 155.5 20.54 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.109 -172.985 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 76' ' ' SER . . . . . . . . . . . . . 38.2 t -138.18 126.08 22.55 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.091 -0.504 . . . . 0.0 111.174 174.084 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 77' ' ' VAL . . . . . . . . . . . . . 64.2 t -98.82 109.81 24.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.172 -174.361 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 78' ' ' ASN . . . . . . . . . . . . . 62.2 t-20 -84.74 85.54 7.43 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.254 -178.841 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 79' ' ' LEU . . . . . . . . . . . . . 75.0 mt -77.84 135.65 37.96 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.166 -172.86 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 80' ' ' ASP . . . . . . . . . . . . . 66.0 t0 -91.1 117.66 29.78 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.112 -0.494 . . . . 0.0 111.215 -177.896 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 81' ' ' VAL . . . . . . . . . . . . . 87.3 t -107.11 114.62 46.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.25 175.966 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 82' ' ' LYS . . . . . . . . . . . . . 88.1 tttt -106.54 93.65 4.71 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.244 -173.81 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 83' ' ' HIS . . . . . . . . . . . . . 79.5 m-70 62.01 49.93 4.35 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.149 174.953 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 84' ' ' PHE . . . . . 0.4 ' HA ' ' HB2' ' B' ' 104' ' ' HIS . 91.7 m-85 -120.1 149.41 42.25 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.203 172.344 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 85' ' ' SER . . . . . 0.427 ' O ' ' HG ' ' B' ' 89' ' ' LEU . 67.5 m -91.8 137.47 25.44 Favored Pre-proline 0 C--N 1.33 -0.24 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.129 -178.811 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 86' ' ' PRO . . . . . . . . . . . . . 55.7 Cg_endo -67.82 -15.69 44.5 Favored 'Trans proline' 0 N--CA 1.459 -0.556 0 C-N-CA 121.721 1.614 . . . . 0.0 111.179 179.763 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 87' ' ' GLU . . . . . . . . . . . . . 99.1 mt-10 -78.6 -14.96 59.06 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.278 172.397 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 88' ' ' GLU . . . . . . . . . . . . . 73.4 mt-10 -120.68 -4.56 9.75 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.205 -179.235 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 89' ' ' LEU . . . . . 0.427 ' HG ' ' O ' ' B' ' 85' ' ' SER . 92.0 mt -82.3 140.14 33.76 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.191 170.224 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 90' ' ' LYS . . . . . . . . . . . . . 97.9 mttt -134.68 64.9 1.58 Allowed 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.147 -179.319 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 91' ' ' VAL . . . . . . . . . . . . . 13.1 p -60.05 135.25 24.89 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.242 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.32 178.236 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 92' ' ' LYS . . . . . 0.421 ' O ' ' N ' ' B' ' 99' ' ' GLU . 86.9 tttt -153.64 156.61 38.24 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.223 -172.972 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 93' ' ' VAL . . . . . . . . . . . . . 33.6 m -124.3 160.68 28.41 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.279 -0.419 . . . . 0.0 111.268 167.546 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 94' ' ' LEU . . . . . . . . . . . . . 25.2 tp -144.91 70.68 1.28 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.206 177.824 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 95' ' ' GLY . . . . . . . . . . . . . . . 82.28 -103.23 2.37 Favored Glycine 0 CA--C 1.523 0.571 0 N-CA-C 111.161 -0.775 . . . . 0.0 111.161 179.618 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 96' ' ' ASP . . . . . . . . . . . . . 51.2 p-10 -103.48 21.37 16.16 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.769 0.318 . . . . 0.0 111.174 -177.399 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 97' ' ' VAL . . . . . 0.434 ' HA ' ' HA ' ' B' ' 123' ' ' ARG . 33.9 m -131.23 162.32 39.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.142 171.701 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 98' ' ' ILE . . . . . . . . . . . . . 63.3 mt -118.1 94.5 3.11 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.234 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.276 172.823 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 99' ' ' GLU . . . . . 0.421 ' N ' ' O ' ' B' ' 92' ' ' LYS . 57.1 mt-10 -72.39 78.91 1.02 Allowed 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.18 -176.005 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 100' ' ' VAL . . . . . 0.422 ' HB ' ' HB2' ' B' ' 120' ' ' ARG . 47.9 t -76.84 77.83 0.63 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.368 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.208 -178.223 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 101' ' ' HIS . . . . . . . . . . . . . 63.7 t-80 -81.4 151.15 28.05 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.158 176.064 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 102' ' ' GLY . . . . . . . . . . . . . . . -179.24 160.96 26.76 Favored Glycine 0 CA--C 1.524 0.611 0 N-CA-C 111.216 -0.754 . . . . 0.0 111.216 177.244 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 103' ' ' LYS . . . . . 0.441 ' HA ' ' O ' ' B' ' 116' ' ' ARG . 64.2 pttt -156.15 151.89 27.24 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.658 0.266 . . . . 0.0 111.267 176.482 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 104' ' ' HIS . . . . . 0.4 ' HB2' ' HA ' ' B' ' 84' ' ' PHE . 26.7 t-80 -129.72 115.31 17.14 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.211 161.866 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 105' ' ' GLU . . . . . 0.561 ' O ' ' C ' ' B' ' 106' ' ' GLU . 98.2 mt-10 -66.59 -175.57 0.39 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.141 -177.339 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 106' ' ' GLU . . . . . 0.561 ' C ' ' O ' ' B' ' 105' ' ' GLU . 99.2 mt-10 -25.56 116.42 0.06 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.21 -170.988 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 107' ' ' ARG . . . . . . . . . . . . . 54.0 ttp180 -134.83 74.64 1.53 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.272 -161.648 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 108' ' ' GLN . . . . . . . . . . . . . 73.6 tp60 -45.3 109.42 0.17 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.208 178.284 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 109' ' ' ASP . . . . . . . . . . . . . 14.4 t0 -164.15 -136.77 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.116 -172.553 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 110' ' ' GLU . . . . . . . . . . . . . 99.8 mt-10 -46.34 -64.49 0.74 Allowed 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.172 -178.282 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 111' ' ' HIS . . . . . . . . . . . . . 69.6 m80 -111.26 79.74 1.24 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.163 -0.472 . . . . 0.0 111.189 -176.005 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 112' ' ' GLY . . . . . . . . . . . . . . . 55.37 -134.02 49.01 Favored Glycine 0 CA--C 1.522 0.512 0 N-CA-C 111.266 -0.734 . . . . 0.0 111.266 -178.477 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 113' ' ' PHE . . . . . 0.477 ' O ' ' N ' ' A' ' 121' ' ' LYS . 97.3 m-85 -89.37 130.13 35.79 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.824 0.345 . . . . 0.0 111.049 172.469 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 114' ' ' ILE . . . . . . . . . . . . . 5.0 mp -118.65 99.27 7.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.19 -178.59 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 115' ' ' SER . . . . . . . . . . . . . 46.1 t -93.04 94.17 8.73 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.228 175.145 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 116' ' ' ARG . . . . . 0.441 ' O ' ' HA ' ' B' ' 103' ' ' LYS . 42.4 ttm180 -121.44 104.44 9.68 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.166 -162.661 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 117' ' ' GLU . . . . . . . . . . . . . 86.1 tt0 -101.63 121.06 41.31 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.203 175.389 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 118' ' ' PHE . . . . . 0.425 ' HA ' ' HA ' ' A' ' 116' ' ' ARG . 39.6 p90 -124.79 165.98 17.02 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.233 -171.784 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 119' ' ' HIS . . . . . . . . . . . . . 19.2 t-160 -148.03 81.55 1.49 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.287 -0.415 . . . . 0.0 111.212 -179.886 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 120' ' ' ARG . . . . . 0.422 ' HB2' ' HB ' ' B' ' 100' ' ' VAL . 87.6 mtm180 -86.01 81.98 8.28 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.161 -173.808 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 121' ' ' LYS . . . . . 0.486 ' N ' ' O ' ' A' ' 113' ' ' PHE . 41.8 ttmt -68.59 78.95 0.28 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.257 -179.05 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 122' ' ' TYR . . . . . . . . . . . . . 3.3 t80 -72.48 110.11 6.64 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.321 -176.421 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 123' ' ' ARG . . . . . 0.434 ' HA ' ' HA ' ' B' ' 97' ' ' VAL . 50.4 ttt180 -94.0 143.61 26.2 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.274 -159.485 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 124' ' ' ILE . . . . . . . . . . . . . 13.3 mt -109.95 136.54 20.4 Favored Pre-proline 0 C--N 1.33 -0.267 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.147 -176.41 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 125' ' ' PRO . . . . . . . . . . . . . 71.6 Cg_exo -46.37 153.35 1.15 Allowed 'Trans proline' 0 N--CA 1.458 -0.582 0 C-N-CA 121.63 1.553 . . . . 0.0 111.201 165.706 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 126' ' ' ALA . . . . . . . . . . . . . . . -77.41 7.57 5.22 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.049 -167.069 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 127' ' ' ASP . . . . . . . . . . . . . 95.0 m-20 -84.0 -8.17 59.21 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.333 -0.394 . . . . 0.0 111.226 -179.397 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 128' ' ' VAL . . . . . . . . . . . . . 10.6 p -78.83 150.18 5.36 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.234 -171.504 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 129' ' ' ASP . . . . . . . . . . . . . 64.8 t0 -101.39 109.81 59.89 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.21 167.511 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 130' ' ' PRO . . . . . . . . . . . . . 93.3 Cg_exo -55.43 -31.47 77.93 Favored 'Trans proline' 0 N--CA 1.458 -0.604 0 C-N-CA 121.667 1.578 . . . . 0.0 111.129 -173.315 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 131' ' ' LEU . . . . . . . . . . . . . 96.8 mt -82.68 -2.9 55.43 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.178 -169.444 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 132' ' ' THR . . . . . . . . . . . . . 69.7 p -112.92 10.78 19.01 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.196 -178.931 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 133' ' ' ILE . . . . . . . . . . . . . 94.4 mt -90.51 125.34 43.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.193 179.188 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 134' ' ' THR . . . . . . . . . . . . . 92.9 m -125.34 124.9 42.56 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.219 178.576 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 135' ' ' SER . . . . . . . . . . . . . 85.3 p -95.15 163.15 13.41 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.183 178.505 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 136' ' ' SER . . . . . . . . . . . . . 44.5 t -153.55 114.54 4.1 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.204 175.71 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 137' ' ' LEU . . . . . . . . . . . . . 49.9 tp -101.64 110.75 22.81 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.207 -175.697 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 138' ' ' SER . . . . . . . . . . . . . 32.9 t -82.76 143.15 31.06 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.208 171.156 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 139' ' ' SER . . . . . . . . . . . . . 88.9 p -72.51 -10.83 60.27 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.218 179.017 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 140' ' ' ASP . . . . . . . . . . . . . 93.7 m-20 -81.68 -18.26 45.12 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.134 -0.484 . . . . 0.0 111.215 177.899 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 141' ' ' GLY . . . . . . . . . . . . . . . 112.85 11.61 13.99 Favored Glycine 0 CA--C 1.523 0.539 0 N-CA-C 111.268 -0.733 . . . . 0.0 111.268 179.309 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 142' ' ' VAL . . . . . . . . . . . . . 48.9 t -94.74 79.5 1.2 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-O 120.789 0.328 . . . . 0.0 111.208 176.889 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 143' ' ' LEU . . . . . . . . . . . . . 59.7 tp -88.61 124.63 34.25 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.129 176.295 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 144' ' ' THR . . . . . . . . . . . . . 92.0 m -127.24 124.16 38.21 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.144 -177.82 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 145' ' ' VAL . . . . . . . . . . . . . 60.8 t -118.67 118.82 59.15 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.208 174.617 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 146' ' ' ASP . . . . . 0.431 ' C ' ' OD1' ' B' ' 146' ' ' ASP . 20.8 p30 -134.87 160.75 37.25 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.23 -170.045 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 147' ' ' GLY . . . . . . . . . . . . . . . 176.87 133.95 1.9 Allowed Glycine 0 CA--C 1.523 0.567 0 N-CA-C 111.212 -0.755 . . . . 0.0 111.212 -178.031 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 148' ' ' PRO . . . . . . . . . . . . . 52.1 Cg_exo -58.92 148.38 84.77 Favored 'Trans proline' 0 N--CA 1.458 -0.604 0 C-N-CA 121.772 1.648 . . . . 0.0 111.147 177.515 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 149' ' ' ARG . . . . . . . . . . . . . 34.8 ptt180 . . . . . 0 C--N 1.33 -0.264 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.185 173.534 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 63.4 mt-10 . . . . . 0 C--O 1.231 0.124 0 CA-C-O 120.865 0.364 . . . . 0.0 111.253 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 68' ' ' MET . . . . . . . . . . . . . 55.2 ttp -73.01 119.87 17.85 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.163 172.226 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 37.7 ptt180 -163.71 153.49 14.89 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.243 178.118 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 49.2 tp -100.11 115.95 30.99 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.234 166.005 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 71' ' ' GLU . . . . . 0.472 ' O ' ' C ' ' A' ' 72' ' ' LYS . 98.5 mt-10 -71.41 -175.93 1.39 Allowed 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.087 -0.506 . . . . 0.0 111.325 173.88 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 72' ' ' LYS . . . . . 0.472 ' C ' ' O ' ' A' ' 71' ' ' GLU . 88.0 tttt -27.54 -58.99 0.1 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.136 174.041 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 56.5 p-10 -152.82 56.68 0.79 Allowed 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.3 170.225 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 35.0 tpt85 -160.22 106.81 1.57 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.169 -173.034 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 75' ' ' PHE . . . . . . . . . . . . . 77.1 t80 -97.28 130.06 44.51 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.186 -174.781 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 95.3 p -139.79 154.04 47.27 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.282 -0.417 . . . . 0.0 111.184 -178.213 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 95.2 t -133.12 98.21 2.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.245 175.606 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 48.3 t30 -91.58 112.64 24.65 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.26 174.331 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -130.37 159.0 38.32 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.135 -172.555 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 63.6 t0 -90.16 121.48 32.24 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.213 -172.611 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 29.5 m -144.02 31.35 0.25 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.312 173.765 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 98.8 mttt -89.37 45.28 1.27 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.051 -0.522 . . . . 0.0 111.208 -166.863 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 95.5 m-70 -141.32 -5.2 1.1 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.288 179.88 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 84' ' ' PHE . . . . . 0.474 ' CD1' ' HB2' ' A' ' 104' ' ' HIS . 14.0 p90 -155.88 179.18 9.45 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.241 -172.429 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 65.1 m -98.73 158.96 31.53 Favored Pre-proline 0 C--N 1.328 -0.332 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.181 -160.64 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 59.2 Cg_endo -65.29 -15.78 51.59 Favored 'Trans proline' 0 N--CA 1.458 -0.569 0 C-N-CA 121.664 1.576 . . . . 0.0 111.148 173.472 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 98.6 mt-10 -91.03 -22.6 20.69 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.105 174.813 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 45.1 tp10 -75.05 -35.7 61.87 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.183 173.934 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 3.9 pp -99.47 149.25 23.4 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.285 -177.1 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 98.4 mttt -125.49 88.45 2.87 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.268 -179.923 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 96.7 t -69.76 116.96 11.81 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.398 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.237 175.409 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 98.3 mttt -130.63 169.79 15.16 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.304 -0.407 . . . . 0.0 111.271 177.578 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 93' ' ' VAL . . . . . 0.433 ' HA ' ' HA ' ' A' ' 98' ' ' ILE . 34.9 m -113.77 159.15 13.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.282 -0.417 . . . . 0.0 111.23 166.789 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 26.7 tp -142.17 66.45 1.34 Allowed 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.147 176.989 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 74.03 -103.34 1.46 Allowed Glycine 0 CA--C 1.522 0.484 0 N-CA-C 111.23 -0.748 . . . . 0.0 111.23 174.283 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 92.8 m-20 -79.51 -14.43 58.88 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.77 0.319 . . . . 0.0 111.144 -176.369 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 97' ' ' VAL . . . . . 0.499 ' HA ' ' HA ' ' A' ' 123' ' ' ARG . 34.7 m -123.77 175.92 5.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.237 -177.565 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 98' ' ' ILE . . . . . 0.433 ' HA ' ' HA ' ' A' ' 93' ' ' VAL . 83.7 mt -121.49 94.15 2.83 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.4 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.215 178.554 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 88.5 tt0 -73.16 78.29 1.27 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.275 -171.773 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 100' ' ' VAL . . . . . . . . . . . . . 94.8 t -68.54 87.53 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.245 173.723 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 101' ' ' HIS . . . . . . . . . . . . . 13.5 t-160 -87.39 64.59 8.29 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.209 -175.36 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . -86.05 168.3 40.81 Favored Glycine 0 CA--C 1.524 0.6 0 N-CA-C 111.28 -0.728 . . . . 0.0 111.28 177.49 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 64.6 pttt -164.21 161.57 22.16 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 120.856 0.36 . . . . 0.0 111.22 176.731 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 104' ' ' HIS . . . . . 0.474 ' HB2' ' CD1' ' A' ' 84' ' ' PHE . 1.5 t-80 -134.02 102.15 5.31 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.14 164.206 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 96.4 mt-10 -88.13 157.08 18.94 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.204 -179.472 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 94.5 mt-10 48.23 49.85 17.12 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.212 -174.755 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 74.7 ttt-85 -86.4 82.63 7.9 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.198 -171.329 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 108' ' ' GLN . . . . . . . . . . . . . 73.1 tp60 -56.51 124.15 17.23 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.13 -0.487 . . . . 0.0 111.137 177.084 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 14.4 t0 -150.13 175.94 11.28 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.238 -179.546 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 51.2 tp10 -52.03 -33.73 40.0 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.246 179.686 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 111' ' ' HIS . . . . . . . . . . . . . 85.3 m-70 -131.33 67.77 1.51 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.29 -175.649 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . -160.34 -137.84 2.31 Favored Glycine 0 CA--C 1.524 0.634 0 N-CA-C 111.135 -0.786 . . . . 0.0 111.135 179.657 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 113' ' ' PHE . . . . . . . . . . . . . 46.9 p90 -76.84 167.38 21.92 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.783 0.325 . . . . 0.0 111.257 9.519 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 114' ' ' ILE . . . . . . . . . . . . . 38.1 pt -128.89 177.29 6.51 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.172 -176.639 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 115' ' ' SER . . . . . 0.448 ' O ' ' HA ' ' B' ' 118' ' ' PHE . 48.0 t -138.44 110.05 7.07 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.219 171.95 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 116' ' ' ARG . . . . . . . . . . . . . 59.5 ttp180 -105.97 88.4 2.8 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.208 -170.23 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 81.8 tt0 -105.73 114.81 29.19 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.192 -176.983 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 118' ' ' PHE . . . . . 0.446 ' HA ' ' O ' ' B' ' 115' ' ' SER . 27.8 p90 -121.57 161.36 22.52 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.305 -0.407 . . . . 0.0 111.224 -172.202 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 119' ' ' HIS . . . . . . . . . . . . . 13.4 m80 -131.36 65.99 1.55 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.194 178.362 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 98.9 mtt180 -75.86 96.27 3.67 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.206 -161.908 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 121' ' ' LYS . . . . . . . . . . . . . 98.3 mttt -86.37 76.7 9.62 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.134 -171.595 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 122' ' ' TYR . . . . . . . . . . . . . 97.8 m-85 -64.38 109.98 2.11 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.244 -178.346 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 123' ' ' ARG . . . . . 0.499 ' HA ' ' HA ' ' A' ' 97' ' ' VAL . 56.1 ttt180 -76.81 129.73 36.66 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.092 -166.662 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 124' ' ' ILE . . . . . . . . . . . . . 76.0 mt -82.08 122.77 79.9 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.189 -173.068 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 125' ' ' PRO . . . . . . . . . . . . . 86.4 Cg_exo -49.7 140.48 29.42 Favored 'Trans proline' 0 N--CA 1.458 -0.568 0 C-N-CA 121.773 1.649 . . . . 0.0 111.139 172.917 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . -59.49 -15.78 20.01 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.065 -0.516 . . . . 0.0 111.277 -176.906 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 127' ' ' ASP . . . . . . . . . . . . . 85.1 m-20 -95.12 9.19 40.51 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.19 -177.419 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 128' ' ' VAL . . . . . . . . . . . . . 97.8 t -123.35 133.29 69.56 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 CA-C-N 116.235 -0.438 . . . . 0.0 111.198 -175.962 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 65.5 t0 -87.5 118.79 70.3 Favored Pre-proline 0 C--N 1.328 -0.344 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.205 -179.27 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 130' ' ' PRO . . . . . . . . . . . . . 88.6 Cg_exo -52.71 -32.32 54.7 Favored 'Trans proline' 0 N--CA 1.456 -0.714 0 C-N-CA 121.664 1.576 . . . . 0.0 111.205 -179.271 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 131' ' ' LEU . . . . . . . . . . . . . 95.7 mt -72.16 -21.03 61.51 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.229 -171.949 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 132' ' ' THR . . . . . . . . . . . . . 59.6 p -88.68 -2.2 58.47 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.227 -177.817 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 133' ' ' ILE . . . . . . . . . . . . . 89.2 mt -95.81 120.07 44.71 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.147 -173.931 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 134' ' ' THR . . . . . . . . . . . . . 89.0 m -132.91 136.53 46.21 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.161 179.907 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 135' ' ' SER . . . . . . . . . . . . . 83.8 p -81.74 157.45 24.54 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.131 -177.35 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 136' ' ' SER . . . . . . . . . . . . . 44.4 t -150.68 139.5 20.83 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.176 172.181 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 137' ' ' LEU . . . . . . . . . . . . . 7.7 tt -135.47 139.91 44.42 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.204 -171.497 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 138' ' ' SER . . . . . 0.649 ' HG ' ' H ' ' A' ' 142' ' ' VAL . 27.4 p -107.08 174.19 6.0 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.171 -176.264 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 139' ' ' SER . . . . . . . . . . . . . 86.4 p -67.63 -19.3 65.2 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.215 178.439 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 140' ' ' ASP . . . . . . . . . . . . . 88.1 m-20 -87.01 -13.08 45.49 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.211 178.298 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 141' ' ' GLY . . . . . . . . . . . . . . . 97.38 20.52 22.45 Favored Glycine 0 CA--C 1.524 0.607 0 N-CA-C 111.128 -0.789 . . . . 0.0 111.128 -179.723 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 142' ' ' VAL . . . . . 0.649 ' H ' ' HG ' ' A' ' 138' ' ' SER . 64.2 t -77.61 88.85 1.01 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-O 120.723 0.296 . . . . 0.0 111.252 179.181 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 143' ' ' LEU . . . . . . . . . . . . . 62.6 tp -96.34 122.98 39.8 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.219 -176.11 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 144' ' ' THR . . . . . . . . . . . . . 90.4 m -130.16 119.48 23.06 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.124 179.342 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 145' ' ' VAL . . . . . . . . . . . . . 43.7 t -107.97 102.94 14.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.233 179.25 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 146' ' ' ASP . . . . . . . . . . . . . 4.0 p30 -142.86 138.48 30.31 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.156 -158.393 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 147' ' ' GLY . . . . . . . . . . . . . . . -147.01 137.83 6.92 Favored Glycine 0 CA--C 1.522 0.49 0 N-CA-C 111.265 -0.734 . . . . 0.0 111.265 174.44 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 148' ' ' PRO . . . . . . . . . . . . . 75.3 Cg_exo -57.48 151.72 51.88 Favored 'Trans proline' 0 N--CA 1.457 -0.649 0 C-N-CA 121.73 1.62 . . . . 0.0 111.225 -179.754 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 149' ' ' ARG . . . . . . . . . . . . . 74.7 ttt180 . . . . . 0 C--N 1.328 -0.349 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.189 175.378 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' B' B ' 67' ' ' GLU . . . . . . . . . . . . . 63.5 mt-10 . . . . . 0 C--O 1.232 0.163 0 CA-C-O 120.772 0.32 . . . . 0.0 111.185 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' B' B ' 68' ' ' MET . . . . . . . . . . . . . 55.2 ttp -72.94 119.73 17.58 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.163 172.228 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 69' ' ' ARG . . . . . . . . . . . . . 37.8 ptt180 -163.72 153.55 14.94 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.191 178.072 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 70' ' ' LEU . . . . . . . . . . . . . 48.9 tp -100.02 115.99 31.02 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.212 166.151 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 71' ' ' GLU . . . . . 0.486 ' O ' ' C ' ' B' ' 72' ' ' LYS . 98.6 mt-10 -71.55 -175.98 1.45 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.266 174.011 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 72' ' ' LYS . . . . . 0.486 ' C ' ' O ' ' B' ' 71' ' ' GLU . 88.1 tttt -27.54 -58.89 0.1 Allowed 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.205 173.971 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 73' ' ' ASP . . . . . . . . . . . . . 56.4 p-10 -152.87 56.73 0.79 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.172 170.275 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 74' ' ' ARG . . . . . . . . . . . . . 34.8 tpt85 -160.3 106.8 1.55 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.315 -0.402 . . . . 0.0 111.126 -173.019 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 75' ' ' PHE . . . . . . . . . . . . . 77.9 t80 -97.26 129.9 44.52 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.307 -174.839 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 76' ' ' SER . . . . . . . . . . . . . 97.3 p -139.8 154.08 47.27 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.313 -0.403 . . . . 0.0 111.158 -178.212 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 77' ' ' VAL . . . . . . . . . . . . . 96.2 t -133.1 98.19 2.74 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-N 116.112 -0.494 . . . . 0.0 111.249 175.681 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 78' ' ' ASN . . . . . . . . . . . . . 48.2 t30 -91.56 112.76 24.81 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.25 174.273 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 79' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -130.47 158.87 38.74 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.258 -172.577 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 80' ' ' ASP . . . . . . . . . . . . . 63.6 t0 -90.06 121.52 32.21 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.214 -172.49 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 81' ' ' VAL . . . . . . . . . . . . . 30.6 m -144.09 31.4 0.25 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.182 173.77 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 82' ' ' LYS . . . . . . . . . . . . . 98.8 mttt -89.23 45.02 1.25 Allowed 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.209 -166.866 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 83' ' ' HIS . . . . . . . . . . . . . 95.6 m-70 -141.2 -5.15 1.12 Allowed 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.297 179.9 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 84' ' ' PHE . . . . . 0.475 ' CD1' ' HB2' ' B' ' 104' ' ' HIS . 13.7 p90 -155.92 179.22 9.42 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.252 -172.441 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 85' ' ' SER . . . . . . . . . . . . . 65.4 m -98.7 159.05 31.37 Favored Pre-proline 0 C--N 1.327 -0.401 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.23 -160.65 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 86' ' ' PRO . . . . . . . . . . . . . 59.2 Cg_endo -65.35 -15.84 51.71 Favored 'Trans proline' 0 C--N 1.328 -0.521 0 C-N-CA 121.666 1.578 . . . . 0.0 111.208 173.514 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 87' ' ' GLU . . . . . . . . . . . . . 98.6 mt-10 -90.98 -22.58 20.74 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.073 -0.512 . . . . 0.0 111.155 174.775 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 88' ' ' GLU . . . . . . . . . . . . . 45.3 tp10 -74.97 -35.7 62.06 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.24 173.944 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 89' ' ' LEU . . . . . . . . . . . . . 3.9 pp -99.47 149.23 23.42 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.207 -176.981 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 90' ' ' LYS . . . . . . . . . . . . . 98.5 mttt -125.6 88.48 2.87 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.136 -179.928 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 91' ' ' VAL . . . . . . . . . . . . . 96.9 t -69.75 117.11 12.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.169 175.336 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 92' ' ' LYS . . . . . . . . . . . . . 98.3 mttt -130.77 169.74 15.3 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.203 177.611 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 93' ' ' VAL . . . . . 0.458 ' HA ' ' HA ' ' B' ' 98' ' ' ILE . 34.9 m -113.82 159.08 13.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.18 166.844 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 94' ' ' LEU . . . . . . . . . . . . . 27.0 tp -142.13 66.67 1.34 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.171 176.871 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 95' ' ' GLY . . . . . . . . . . . . . . . 73.92 -103.28 1.44 Allowed Glycine 0 CA--C 1.524 0.616 0 N-CA-C 111.195 -0.762 . . . . 0.0 111.195 174.252 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 96' ' ' ASP . . . . . . . . . . . . . 92.4 m-20 -79.55 -14.47 58.82 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-O 120.78 0.324 . . . . 0.0 111.171 -176.337 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 97' ' ' VAL . . . . . 0.509 ' HA ' ' HA ' ' B' ' 123' ' ' ARG . 34.7 m -123.75 175.8 6.02 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.186 -177.518 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 98' ' ' ILE . . . . . 0.458 ' HA ' ' HA ' ' B' ' 93' ' ' VAL . 83.4 mt -121.47 94.33 2.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.266 -0.424 . . . . 0.0 111.153 178.528 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 99' ' ' GLU . . . . . . . . . . . . . 88.4 tt0 -73.26 78.23 1.31 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.286 -171.864 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 100' ' ' VAL . . . . . . . . . . . . . 94.7 t -68.57 87.63 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.202 173.744 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 101' ' ' HIS . . . . . . . . . . . . . 13.7 t-160 -87.36 64.54 8.29 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.239 -175.425 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 102' ' ' GLY . . . . . . . . . . . . . . . -86.05 168.24 40.76 Favored Glycine 0 CA--C 1.523 0.586 0 N-CA-C 111.351 -0.7 . . . . 0.0 111.351 177.507 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 103' ' ' LYS . . . . . . . . . . . . . 64.6 pttt -164.12 161.55 22.41 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-O 120.816 0.341 . . . . 0.0 111.187 176.827 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 104' ' ' HIS . . . . . 0.475 ' HB2' ' CD1' ' B' ' 84' ' ' PHE . 1.5 t-80 -133.97 102.16 5.32 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.219 164.06 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 105' ' ' GLU . . . . . . . . . . . . . 96.4 mt-10 -88.27 157.02 18.89 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.221 -179.48 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 106' ' ' GLU . . . . . . . . . . . . . 94.6 mt-10 48.33 49.96 17.18 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.222 -174.679 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 107' ' ' ARG . . . . . . . . . . . . . 74.7 ttt-85 -86.48 82.53 7.91 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.273 -171.364 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 108' ' ' GLN . . . . . . . . . . . . . 73.1 tp60 -56.59 124.11 17.16 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.131 177.175 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 109' ' ' ASP . . . . . . . . . . . . . 14.3 t0 -150.07 175.97 11.24 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.218 -179.548 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 110' ' ' GLU . . . . . . . . . . . . . 51.5 tp10 -52.05 -33.75 40.33 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.208 179.726 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 111' ' ' HIS . . . . . . . . . . . . . 85.6 m-70 -131.29 67.83 1.51 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.15 -175.601 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 112' ' ' GLY . . . . . . . . . . . . . . . -160.42 -137.9 2.32 Favored Glycine 0 CA--C 1.524 0.632 0 N-CA-C 111.084 -0.806 . . . . 0.0 111.084 179.623 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 113' ' ' PHE . . . . . . . . . . . . . 47.3 p90 -76.99 167.34 21.99 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.759 0.314 . . . . 0.0 111.201 9.617 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 114' ' ' ILE . . . . . . . . . . . . . 37.8 pt -128.78 177.34 6.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.204 -176.66 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 115' ' ' SER . . . . . 0.446 ' O ' ' HA ' ' A' ' 118' ' ' PHE . 47.8 t -138.39 110.12 7.12 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.103 171.983 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 116' ' ' ARG . . . . . . . . . . . . . 59.4 ttp180 -106.02 88.41 2.8 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.175 -170.369 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 117' ' ' GLU . . . . . . . . . . . . . 81.8 tt0 -105.81 114.79 29.15 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.254 -177.048 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 118' ' ' PHE . . . . . 0.448 ' HA ' ' O ' ' A' ' 115' ' ' SER . 27.9 p90 -121.44 161.45 22.19 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.299 -172.131 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 119' ' ' HIS . . . . . . . . . . . . . 13.2 m80 -131.53 66.07 1.55 Allowed 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.173 178.277 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 120' ' ' ARG . . . . . . . . . . . . . 98.9 mtt180 -75.86 96.3 3.67 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.211 -161.961 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 121' ' ' LYS . . . . . . . . . . . . . 98.3 mttt -86.43 76.9 9.56 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.173 -171.639 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 122' ' ' TYR . . . . . . . . . . . . . 97.7 m-85 -64.55 109.91 2.14 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.168 -178.232 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 123' ' ' ARG . . . . . 0.509 ' HA ' ' HA ' ' B' ' 97' ' ' VAL . 56.3 ttt180 -76.75 129.81 36.82 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.169 -166.675 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 124' ' ' ILE . . . . . . . . . . . . . 76.5 mt -82.13 122.83 79.84 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.108 -173.013 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 125' ' ' PRO . . . . . . . . . . . . . 86.5 Cg_exo -49.8 140.54 30.11 Favored 'Trans proline' 0 N--CA 1.458 -0.57 0 C-N-CA 121.581 1.521 . . . . 0.0 111.219 172.826 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 126' ' ' ALA . . . . . . . . . . . . . . . -59.51 -15.93 21.13 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.092 -0.504 . . . . 0.0 111.162 -176.763 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 127' ' ' ASP . . . . . . . . . . . . . 85.0 m-20 -94.94 9.13 40.48 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.354 -177.545 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 128' ' ' VAL . . . . . . . . . . . . . 96.9 t -123.33 133.37 69.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.134 -175.872 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 129' ' ' ASP . . . . . . . . . . . . . 65.4 t0 -87.61 118.9 70.39 Favored Pre-proline 0 C--N 1.328 -0.338 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.106 -179.281 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 130' ' ' PRO . . . . . . . . . . . . . 88.7 Cg_exo -52.71 -32.36 54.82 Favored 'Trans proline' 0 N--CA 1.458 -0.569 0 C-N-CA 121.698 1.598 . . . . 0.0 111.215 -179.345 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 131' ' ' LEU . . . . . . . . . . . . . 95.6 mt -72.28 -20.99 61.42 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.164 -171.84 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 132' ' ' THR . . . . . . . . . . . . . 57.9 p -88.56 -2.43 58.59 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.264 -177.909 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 133' ' ' ILE . . . . . . . . . . . . . 88.9 mt -95.76 120.07 44.66 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.166 -173.902 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 134' ' ' THR . . . . . . . . . . . . . 88.4 m -132.89 136.6 46.28 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.229 179.816 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 135' ' ' SER . . . . . . . . . . . . . 83.8 p -81.69 157.44 24.61 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.101 -177.302 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 136' ' ' SER . . . . . . . . . . . . . 44.5 t -150.73 139.39 20.67 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.231 172.233 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 137' ' ' LEU . . . . . . . . . . . . . 7.8 tt -135.43 139.88 44.48 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.242 -171.47 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 138' ' ' SER . . . . . 0.561 ' HG ' ' H ' ' B' ' 140' ' ' ASP . 27.0 p -107.12 174.32 5.94 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.134 -176.32 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 139' ' ' SER . . . . . . . . . . . . . 86.1 p -67.75 -19.28 65.1 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.143 178.517 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 140' ' ' ASP . . . . . 0.561 ' H ' ' HG ' ' B' ' 138' ' ' SER . 88.5 m-20 -87.08 -12.97 45.6 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.293 -0.412 . . . . 0.0 111.122 178.348 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 141' ' ' GLY . . . . . . . . . . . . . . . 97.26 20.62 22.48 Favored Glycine 0 CA--C 1.522 0.525 0 N-CA-C 111.247 -0.741 . . . . 0.0 111.247 -179.69 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 142' ' ' VAL . . . . . . . . . . . . . 64.9 t -77.77 88.91 1.04 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-O 120.773 0.32 . . . . 0.0 111.141 179.248 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 143' ' ' LEU . . . . . . . . . . . . . 62.6 tp -96.19 122.92 39.56 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.266 -176.236 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 144' ' ' THR . . . . . . . . . . . . . 89.5 m -130.24 119.63 23.21 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.032 179.319 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 145' ' ' VAL . . . . . . . . . . . . . 44.1 t -108.11 103.05 14.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.12 179.339 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 146' ' ' ASP . . . . . . . . . . . . . 4.0 p30 -142.96 138.54 30.17 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.108 -158.473 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 147' ' ' GLY . . . . . . . . . . . . . . . -146.95 137.91 6.98 Favored Glycine 0 CA--C 1.522 0.511 0 N-CA-C 111.267 -0.733 . . . . 0.0 111.267 174.405 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 148' ' ' PRO . . . . . . . . . . . . . 75.6 Cg_exo -57.43 151.65 51.99 Favored 'Trans proline' 0 N--CA 1.458 -0.609 0 C-N-CA 121.72 1.613 . . . . 0.0 111.248 -179.859 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 149' ' ' ARG . . . . . . . . . . . . . 74.7 ttt180 . . . . . 0 C--N 1.329 -0.316 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.135 175.327 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 88.7 tt0 . . . . . 0 C--O 1.232 0.137 0 CA-C-O 120.703 0.287 . . . . 0.0 111.193 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 68' ' ' MET . . . . . . . . . . . . . 62.0 ttp -74.34 122.23 22.6 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.227 179.391 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 78.9 ttt180 -144.87 148.78 34.33 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.259 -172.27 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 81.7 mt -78.7 138.72 38.4 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.15 173.77 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 68.4 mm-40 -67.13 -175.61 0.46 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.284 165.276 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 87.9 tttt -39.96 -49.19 2.46 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.289 -0.414 . . . . 0.0 111.214 178.229 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 55.4 p-10 -149.93 36.38 0.69 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.207 174.321 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 87.6 mtm180 -141.05 174.35 10.6 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.264 -179.81 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 75' ' ' PHE . . . . . 0.412 ' HB3' ' O ' ' A' ' 147' ' ' GLY . 32.1 t80 -122.38 131.62 53.98 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.202 -178.97 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 96.7 p -142.57 164.31 30.47 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.315 -0.402 . . . . 0.0 111.322 174.738 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 77' ' ' VAL . . . . . 0.546 ' O ' ' CG1' ' A' ' 77' ' ' VAL . 9.8 p -155.71 108.53 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.419 0 CA-C-N 116.33 -0.396 . . . . 0.0 111.234 178.205 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 74.2 m-80 -92.36 117.6 30.08 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.149 -178.843 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 81.8 mt -118.11 150.8 38.74 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.197 -171.401 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 65.7 t0 -86.67 112.73 21.91 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.255 -0.429 . . . . 0.0 111.172 177.138 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 27.0 m -136.25 22.35 0.9 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.291 -177.327 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 88.8 tttt -68.54 -41.7 79.48 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.176 -174.191 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 17.9 p-80 -79.11 -12.96 60.01 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.179 -175.978 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 84' ' ' PHE . . . . . . . . . . . . . 21.5 m-30 -72.61 152.92 41.51 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.251 -0.432 . . . . 0.0 111.264 177.12 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 85' ' ' SER . . . . . 0.442 ' O ' ' N ' ' A' ' 89' ' ' LEU . 72.6 m -100.36 147.81 34.06 Favored Pre-proline 0 C--N 1.328 -0.329 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.273 172.219 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 71.3 Cg_exo -54.22 -32.8 72.48 Favored 'Trans proline' 0 N--CA 1.458 -0.575 0 C-N-CA 121.766 1.644 . . . . 0.0 111.129 177.544 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 99.0 mt-10 -83.24 -19.39 36.5 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.309 -0.405 . . . . 0.0 111.194 -178.816 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 94.8 mt-10 -104.83 -11.49 16.75 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.333 -0.394 . . . . 0.0 111.226 -179.865 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 89' ' ' LEU . . . . . 0.442 ' N ' ' O ' ' A' ' 85' ' ' SER . 46.7 tp -97.29 113.35 24.96 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.292 -175.118 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 97.5 mttt -112.31 147.09 37.05 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.19 174.376 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 6.8 p -131.1 114.68 27.28 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.383 0 CA-C-N 116.067 -0.515 . . . . 0.0 111.199 173.752 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 99.4 mttt -132.65 169.58 16.45 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.234 -172.816 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 34.1 m -124.8 161.54 28.26 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.211 168.153 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 46.7 tp -141.58 82.82 1.83 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.258 177.269 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 79.52 -105.65 2.31 Favored Glycine 0 CA--C 1.523 0.536 0 N-CA-C 111.206 -0.758 . . . . 0.0 111.206 -176.656 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 79.6 m-20 -90.4 -14.26 33.3 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.849 0.357 . . . . 0.0 111.203 169.665 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 97' ' ' VAL . . . . . 0.483 ' HA ' ' HA ' ' A' ' 123' ' ' ARG . 61.7 t -79.43 145.39 9.43 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.284 -173.757 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 98' ' ' ILE . . . . . . . . . . . . . 76.0 mt -110.03 82.79 0.64 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.377 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.252 168.194 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 84.8 tt0 -77.92 92.52 4.29 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.239 -177.322 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 100' ' ' VAL . . . . . 0.486 ' HB ' ' HB2' ' A' ' 120' ' ' ARG . 59.7 t -79.22 95.06 1.91 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.179 173.736 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 101' ' ' HIS . . . . . 0.469 ' O ' ' CD2' ' A' ' 101' ' ' HIS . 6.3 t-160 -89.53 68.69 7.81 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.199 -170.314 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . -85.08 167.41 41.68 Favored Glycine 0 CA--C 1.523 0.582 0 N-CA-C 111.205 -0.758 . . . . 0.0 111.205 179.111 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 61.4 pttt -167.3 148.04 5.53 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.764 0.316 . . . . 0.0 111.157 169.963 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 104' ' ' HIS . . . . . . . . . . . . . 23.8 t-160 -123.0 108.89 13.43 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.205 168.98 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 88.6 mt-10 -93.95 162.73 13.78 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.233 -179.992 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 94.9 mt-10 48.19 57.48 6.09 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.219 -175.428 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 72.8 ttt-85 -104.63 92.0 4.1 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.195 -168.506 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 108' ' ' GLN . . . . . . . . . . . . . 68.4 tp60 -41.05 118.98 1.08 Allowed 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.201 176.966 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 6.2 t0 -116.95 -169.98 1.75 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.105 179.369 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 78.6 mm-40 -83.28 -15.95 48.16 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.151 177.932 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 111' ' ' HIS . . . . . . . . . . . . . 99.0 m-70 -105.55 -16.09 14.81 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.218 179.779 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 167.09 -108.51 0.31 Allowed Glycine 0 CA--C 1.524 0.602 0 N-CA-C 111.189 -0.764 . . . . 0.0 111.189 179.576 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 113' ' ' PHE . . . . . . . . . . . . . 35.5 p90 -150.22 158.03 43.72 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.809 0.338 . . . . 0.0 111.187 159.497 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 114' ' ' ILE . . . . . . . . . . . . . 44.8 pt -129.27 165.3 29.53 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.297 -171.795 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 115' ' ' SER . . . . . 0.452 ' HG ' ' HD1' ' B' ' 119' ' ' HIS . 12.7 t -123.22 115.44 21.74 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.226 164.345 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 116' ' ' ARG . . . . . . . . . . . . . 44.3 ttp180 -119.27 102.49 8.73 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.213 -166.544 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 86.8 tt0 -105.66 129.29 53.92 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.174 -171.298 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 118' ' ' PHE . . . . . . . . . . . . . 68.1 m-85 -108.84 151.78 25.78 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.226 -172.46 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 119' ' ' HIS . . . . . 0.434 ' HB2' ' HB3' ' B' ' 115' ' ' SER . 26.6 m80 -133.09 70.35 1.47 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.158 162.628 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 120' ' ' ARG . . . . . 0.486 ' HB2' ' HB ' ' A' ' 100' ' ' VAL . 99.3 mtt180 -74.58 81.08 1.99 Allowed 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.11 -0.495 . . . . 0.0 111.266 -161.283 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 121' ' ' LYS . . . . . . . . . . . . . 95.1 mttt -75.65 84.61 2.67 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.079 -0.51 . . . . 0.0 111.273 -177.574 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 122' ' ' TYR . . . . . 0.429 ' CZ ' ' HB3' ' A' ' 120' ' ' ARG . 16.2 m-85 -97.97 107.33 19.79 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.275 176.595 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 123' ' ' ARG . . . . . 0.483 ' HA ' ' HA ' ' A' ' 97' ' ' VAL . 59.6 ttt180 -88.11 143.11 27.25 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.123 -161.032 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 124' ' ' ILE . . . . . . . . . . . . . 78.7 mt -73.78 125.01 90.73 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.183 -170.583 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 125' ' ' PRO . . . . . . . . . . . . . 84.3 Cg_exo -50.01 140.83 31.17 Favored 'Trans proline' 0 C--N 1.328 -0.522 0 C-N-CA 121.741 1.627 . . . . 0.0 111.093 174.27 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . -58.0 -21.51 45.2 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.174 -171.676 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 127' ' ' ASP . . . . . . . . . . . . . 93.2 m-20 -100.64 25.91 7.32 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.221 -176.569 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 128' ' ' VAL . . . . . . . . . . . . . 98.8 t -129.26 134.84 63.12 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.368 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.115 178.901 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 64.0 t0 -87.4 115.92 64.4 Favored Pre-proline 0 C--N 1.328 -0.333 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.238 -175.697 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 130' ' ' PRO . . . . . . . . . . . . . 79.8 Cg_exo -55.33 -33.27 84.63 Favored 'Trans proline' 0 N--CA 1.458 -0.611 0 C-N-CA 121.75 1.634 . . . . 0.0 111.173 -177.015 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 131' ' ' LEU . . . . . . . . . . . . . 97.9 mt -85.66 4.98 34.0 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.22 -168.379 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 132' ' ' THR . . . . . . . . . . . . . 73.1 p -115.33 4.17 14.36 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.177 178.162 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 133' ' ' ILE . . . . . . . . . . . . . 95.5 mt -94.04 126.19 46.5 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.152 -175.396 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 134' ' ' THR . . . . . . . . . . . . . 93.6 m -128.05 130.72 48.71 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.237 179.152 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 135' ' ' SER . . . . . . . . . . . . . 85.8 p -83.1 154.54 24.3 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.13 -179.532 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 136' ' ' SER . . . . . . . . . . . . . 43.8 t -146.9 132.49 18.77 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.145 176.486 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 137' ' ' LEU . . . . . . . . . . . . . 63.5 tp -108.47 126.26 52.71 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.157 -178.867 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 138' ' ' SER . . . . . 0.443 ' HG ' ' H ' ' A' ' 142' ' ' VAL . 65.1 p -92.96 165.1 13.03 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.118 -178.797 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 139' ' ' SER . . . . . . . . . . . . . 87.5 p -73.79 -14.38 61.1 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.136 -0.483 . . . . 0.0 111.236 177.058 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 140' ' ' ASP . . . . . . . . . . . . . 92.9 m-20 -85.75 -5.07 59.3 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.184 178.037 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 141' ' ' GLY . . . . . . . . . . . . . . . 84.42 39.73 8.85 Favored Glycine 0 CA--C 1.523 0.555 0 N-CA-C 111.128 -0.789 . . . . 0.0 111.128 179.216 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 142' ' ' VAL . . . . . 0.443 ' H ' ' HG ' ' A' ' 138' ' ' SER . 78.6 t -116.23 121.28 67.18 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-O 120.785 0.326 . . . . 0.0 111.206 175.446 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 143' ' ' LEU . . . . . . . . . . . . . 61.5 tp -97.31 124.99 41.61 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.23 177.587 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 144' ' ' THR . . . . . . . . . . . . . 88.9 m -120.54 107.38 12.78 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.176 -177.557 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 145' ' ' VAL . . . . . . . . . . . . . 46.8 t -103.25 99.65 8.83 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.166 -179.317 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 146' ' ' ASP . . . . . 0.549 ' C ' ' OD1' ' A' ' 146' ' ' ASP . 9.8 t0 -137.22 115.44 11.72 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.139 -155.877 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 147' ' ' GLY . . . . . 0.412 ' O ' ' HB3' ' A' ' 75' ' ' PHE . . . -131.85 156.79 22.1 Favored Glycine 0 CA--C 1.523 0.561 0 N-CA-C 111.182 -0.767 . . . . 0.0 111.182 168.448 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 148' ' ' PRO . . . . . . . . . . . . . 58.0 Cg_endo -70.06 163.37 38.75 Favored 'Trans proline' 0 N--CA 1.456 -0.677 0 C-N-CA 121.72 1.614 . . . . 0.0 111.259 -179.864 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 149' ' ' ARG . . . . . . . . . . . . . 82.1 mtp180 . . . . . 0 C--N 1.33 -0.277 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.13 -177.12 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' B' B ' 67' ' ' GLU . . . . . . . . . . . . . 88.7 tt0 . . . . . 0 C--O 1.23 0.058 0 CA-C-O 120.827 0.346 . . . . 0.0 111.083 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' B' B ' 68' ' ' MET . . . . . . . . . . . . . 62.1 ttp -74.4 122.29 22.75 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.129 179.414 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 69' ' ' ARG . . . . . . . . . . . . . 78.9 ttt180 -145.05 148.7 33.99 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.22 -172.204 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 70' ' ' LEU . . . . . . . . . . . . . 82.0 mt -78.74 138.71 38.37 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.275 173.769 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 71' ' ' GLU . . . . . . . . . . . . . 68.5 mm-40 -67.11 -175.6 0.46 Allowed 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.3 165.373 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 72' ' ' LYS . . . . . . . . . . . . . 87.9 tttt -39.91 -49.28 2.43 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.264 178.249 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 73' ' ' ASP . . . . . . . . . . . . . 55.4 p-10 -149.76 36.34 0.71 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.216 174.239 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 74' ' ' ARG . . . . . . . . . . . . . 87.5 mtm180 -140.89 174.31 10.64 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.256 -179.709 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 75' ' ' PHE . . . . . 0.413 ' HB3' ' O ' ' B' ' 147' ' ' GLY . 32.8 t80 -122.45 131.67 53.98 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.206 -179.126 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 76' ' ' SER . . . . . . . . . . . . . 95.2 p -142.59 164.29 30.51 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.296 174.717 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 77' ' ' VAL . . . . . 0.534 ' CG1' ' O ' ' B' ' 77' ' ' VAL . 9.7 p -155.69 108.58 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.221 178.178 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 78' ' ' ASN . . . . . . . . . . . . . 74.3 m-80 -92.45 117.67 30.17 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.19 -178.895 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 79' ' ' LEU . . . . . . . . . . . . . 82.7 mt -118.07 150.85 38.63 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.157 -171.42 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 80' ' ' ASP . . . . . . . . . . . . . 65.7 t0 -86.67 112.72 21.91 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.145 177.09 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 81' ' ' VAL . . . . . . . . . . . . . 27.2 m -136.3 22.44 0.89 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.362 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.274 -177.372 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 82' ' ' LYS . . . . . . . . . . . . . 88.8 tttt -68.55 -41.71 79.44 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.094 -0.503 . . . . 0.0 111.221 -174.223 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 83' ' ' HIS . . . . . . . . . . . . . 17.9 p-80 -79.08 -12.95 60.02 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.198 -176.065 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 84' ' ' PHE . . . . . . . . . . . . . 21.4 m-30 -72.71 153.15 41.3 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.188 177.181 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 85' ' ' SER . . . . . 0.429 ' O ' ' N ' ' B' ' 89' ' ' LEU . 72.4 m -100.45 147.86 34.16 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.167 172.319 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 86' ' ' PRO . . . . . . . . . . . . . 71.0 Cg_exo -54.32 -32.75 73.24 Favored 'Trans proline' 0 N--CA 1.459 -0.535 0 C-N-CA 121.644 1.563 . . . . 0.0 111.166 177.5 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 87' ' ' GLU . . . . . . . . . . . . . 99.0 mt-10 -83.32 -19.13 36.77 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.224 -178.825 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 88' ' ' GLU . . . . . . . . . . . . . 94.9 mt-10 -105.12 -11.49 16.56 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.289 -0.414 . . . . 0.0 111.055 -179.696 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 89' ' ' LEU . . . . . 0.429 ' N ' ' O ' ' B' ' 85' ' ' SER . 47.1 tp -97.23 113.25 24.84 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.327 -175.171 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 90' ' ' LYS . . . . . . . . . . . . . 97.5 mttt -112.42 147.05 37.29 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.322 -0.399 . . . . 0.0 111.261 174.337 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 91' ' ' VAL . . . . . . . . . . . . . 6.7 p -131.02 114.65 27.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.307 173.803 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 92' ' ' LYS . . . . . . . . . . . . . 99.3 mttt -132.63 169.58 16.43 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.318 -0.401 . . . . 0.0 111.204 -172.725 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 93' ' ' VAL . . . . . . . . . . . . . 34.1 m -124.69 161.58 27.95 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.188 168.146 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 94' ' ' LEU . . . . . . . . . . . . . 47.3 tp -141.54 82.82 1.83 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.064 -0.516 . . . . 0.0 111.115 177.294 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 95' ' ' GLY . . . . . . . . . . . . . . . 79.51 -105.7 2.32 Favored Glycine 0 CA--C 1.522 0.519 0 N-CA-C 111.264 -0.734 . . . . 0.0 111.264 -176.593 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 96' ' ' ASP . . . . . . . . . . . . . 79.7 m-20 -90.42 -14.38 33.03 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.695 0.283 . . . . 0.0 111.123 169.697 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 97' ' ' VAL . . . . . 0.494 ' HA ' ' HA ' ' B' ' 123' ' ' ARG . 61.9 t -79.42 145.43 9.38 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.239 -173.725 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 98' ' ' ILE . . . . . . . . . . . . . 76.9 mt -110.1 83.11 0.65 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.148 168.14 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 99' ' ' GLU . . . . . . . . . . . . . 84.6 tt0 -77.98 92.31 4.31 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.245 -177.411 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 100' ' ' VAL . . . . . 0.506 ' HB ' ' HB2' ' B' ' 120' ' ' ARG . 59.7 t -79.12 95.03 1.87 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.241 173.708 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 101' ' ' HIS . . . . . 0.463 ' CD2' ' O ' ' B' ' 101' ' ' HIS . 6.3 t-160 -89.52 68.74 7.84 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.149 -170.297 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 102' ' ' GLY . . . . . . . . . . . . . . . -85.23 167.47 41.47 Favored Glycine 0 CA--C 1.525 0.671 0 N-CA-C 111.092 -0.803 . . . . 0.0 111.092 179.188 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 103' ' ' LYS . . . . . . . . . . . . . 61.5 pttt -167.4 147.92 5.41 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.787 0.327 . . . . 0.0 111.195 170.003 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 104' ' ' HIS . . . . . . . . . . . . . 23.8 t-160 -122.9 108.85 13.44 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.279 168.916 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 105' ' ' GLU . . . . . . . . . . . . . 88.4 mt-10 -93.92 162.69 13.8 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.185 -179.977 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 106' ' ' GLU . . . . . . . . . . . . . 94.8 mt-10 48.28 57.44 6.17 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.234 -175.429 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 107' ' ' ARG . . . . . . . . . . . . . 72.8 ttt-85 -104.62 91.94 4.08 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.245 -168.484 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 108' ' ' GLN . . . . . . . . . . . . . 68.5 tp60 -40.91 118.94 1.05 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.287 -0.415 . . . . 0.0 111.137 176.997 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 109' ' ' ASP . . . . . . . . . . . . . 6.1 t0 -116.91 -170.01 1.75 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.168 179.216 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 110' ' ' GLU . . . . . . . . . . . . . 78.5 mm-40 -83.17 -15.97 48.49 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.359 -0.382 . . . . 0.0 111.315 177.81 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 111' ' ' HIS . . . . . . . . . . . . . 99.1 m-70 -105.57 -16.06 14.81 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.2 179.741 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 112' ' ' GLY . . . . . . . . . . . . . . . 167.13 -108.53 0.31 Allowed Glycine 0 CA--C 1.523 0.553 0 N-CA-C 111.182 -0.767 . . . . 0.0 111.182 179.553 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 113' ' ' PHE . . . . . . . . . . . . . 35.5 p90 -150.2 158.13 43.83 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.829 0.347 . . . . 0.0 111.184 159.428 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 114' ' ' ILE . . . . . . . . . . . . . 44.8 pt -129.35 165.19 29.9 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.196 -171.686 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 115' ' ' SER . . . . . 0.434 ' HB3' ' HB2' ' A' ' 119' ' ' HIS . 12.8 t -123.16 115.51 21.9 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.182 164.262 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 116' ' ' ARG . . . . . . . . . . . . . 44.3 ttp180 -119.28 102.47 8.72 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.186 -166.562 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 117' ' ' GLU . . . . . . . . . . . . . 86.8 tt0 -105.62 129.26 53.9 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.189 -171.307 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 118' ' ' PHE . . . . . . . . . . . . . 67.5 m-85 -108.85 151.77 25.8 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.302 -0.408 . . . . 0.0 111.266 -172.502 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 119' ' ' HIS . . . . . 0.452 ' HD1' ' HG ' ' A' ' 115' ' ' SER . 26.4 m80 -133.0 70.22 1.47 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.138 162.703 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 120' ' ' ARG . . . . . 0.506 ' HB2' ' HB ' ' B' ' 100' ' ' VAL . 99.3 mtt180 -74.56 81.06 1.98 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.198 -161.147 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 121' ' ' LYS . . . . . . . . . . . . . 95.0 mttt -75.79 84.7 2.76 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.166 -177.471 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 122' ' ' TYR . . . . . 0.42 ' CZ ' ' HB3' ' B' ' 120' ' ' ARG . 16.1 m-85 -97.99 107.38 19.84 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.292 176.524 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 123' ' ' ARG . . . . . 0.494 ' HA ' ' HA ' ' B' ' 97' ' ' VAL . 59.5 ttt180 -88.25 143.24 27.15 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.217 -160.998 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 124' ' ' ILE . . . . . . . . . . . . . 78.8 mt -73.85 125.03 90.66 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.177 -170.419 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 125' ' ' PRO . . . . . . . . . . . . . 86.1 Cg_exo -49.9 140.88 30.15 Favored 'Trans proline' 0 N--CA 1.459 -0.554 0 C-N-CA 121.688 1.592 . . . . 0.0 111.134 174.182 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 126' ' ' ALA . . . . . . . . . . . . . . . -58.1 -21.34 45.86 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.267 -171.739 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 127' ' ' ASP . . . . . . . . . . . . . 93.6 m-20 -100.72 25.78 7.52 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.18 -176.538 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 128' ' ' VAL . . . . . . . . . . . . . 98.2 t -129.24 134.87 63.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.219 178.791 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 129' ' ' ASP . . . . . . . . . . . . . 64.1 t0 -87.34 115.96 64.51 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.191 -175.571 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 130' ' ' PRO . . . . . . . . . . . . . 80.2 Cg_exo -55.36 -33.2 84.57 Favored 'Trans proline' 0 N--CA 1.458 -0.616 0 C-N-CA 121.697 1.598 . . . . 0.0 111.224 -177.089 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 131' ' ' LEU . . . . . . . . . . . . . 97.8 mt -85.67 4.96 34.13 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.181 -168.404 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 132' ' ' THR . . . . . . . . . . . . . 76.1 p -115.32 4.24 14.38 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.275 -0.42 . . . . 0.0 111.209 178.093 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 133' ' ' ILE . . . . . . . . . . . . . 95.2 mt -94.11 126.16 46.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.185 -175.462 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 134' ' ' THR . . . . . . . . . . . . . 93.3 m -127.98 130.73 48.85 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.261 179.081 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 135' ' ' SER . . . . . . . . . . . . . 85.5 p -83.07 154.58 24.32 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.008 -0.542 . . . . 0.0 111.175 -179.583 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 136' ' ' SER . . . . . . . . . . . . . 43.7 t -146.89 132.39 18.68 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.269 176.451 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 137' ' ' LEU . . . . . . . . . . . . . 63.6 tp -108.42 126.15 52.56 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.332 -0.394 . . . . 0.0 111.155 -178.778 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 138' ' ' SER . . . . . 0.622 ' HG ' ' H ' ' B' ' 142' ' ' VAL . 63.5 p -92.89 165.26 12.98 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.166 -178.819 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 139' ' ' SER . . . . . . . . . . . . . 88.1 p -73.96 -14.33 61.02 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.033 -0.53 . . . . 0.0 111.115 177.184 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 140' ' ' ASP . . . . . . . . . . . . . 92.8 m-20 -85.84 -5.01 59.31 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.233 178.063 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 141' ' ' GLY . . . . . . . . . . . . . . . 84.31 39.72 8.94 Favored Glycine 0 CA--C 1.523 0.557 0 N-CA-C 111.171 -0.772 . . . . 0.0 111.171 179.139 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 142' ' ' VAL . . . . . 0.622 ' H ' ' HG ' ' B' ' 138' ' ' SER . 79.7 t -116.1 121.25 67.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-O 120.79 0.329 . . . . 0.0 111.197 175.437 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 143' ' ' LEU . . . . . . . . . . . . . 61.6 tp -97.27 125.05 41.58 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.189 177.539 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 144' ' ' THR . . . . . . . . . . . . . 89.0 m -120.47 107.18 12.57 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.239 -177.589 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 145' ' ' VAL . . . . . . . . . . . . . 46.4 t -103.11 99.74 9.0 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.213 -179.335 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 146' ' ' ASP . . . . . 0.543 ' C ' ' OD1' ' B' ' 146' ' ' ASP . 9.7 t0 -137.4 115.47 11.62 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.293 -0.412 . . . . 0.0 111.141 -155.795 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 147' ' ' GLY . . . . . 0.413 ' O ' ' HB3' ' B' ' 75' ' ' PHE . . . -131.97 156.84 22.15 Favored Glycine 0 CA--C 1.524 0.639 0 N-CA-C 111.158 -0.777 . . . . 0.0 111.158 168.548 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 148' ' ' PRO . . . . . . . . . . . . . 57.7 Cg_endo -70.18 163.24 39.34 Favored 'Trans proline' 0 N--CA 1.458 -0.595 0 C-N-CA 121.655 1.57 . . . . 0.0 111.245 -179.808 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 149' ' ' ARG . . . . . . . . . . . . . 82.0 mtp180 . . . . . 0 C--N 1.331 -0.225 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.229 -177.133 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 97.0 mt-10 . . . . . 0 C--O 1.231 0.113 0 CA-C-O 120.788 0.328 . . . . 0.0 111.146 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 68' ' ' MET . . . . . . . . . . . . . 75.0 mtm -106.52 118.81 37.64 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.145 177.794 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 79.2 ttt180 -84.19 107.18 16.36 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.172 179.473 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 57.8 tp -106.93 97.17 6.98 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.231 175.36 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 71' ' ' GLU . . . . . 0.514 ' O ' ' C ' ' A' ' 72' ' ' LYS . 77.1 mm-40 -73.45 163.42 28.07 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.187 172.1 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 72' ' ' LYS . . . . . 0.514 ' C ' ' O ' ' A' ' 71' ' ' GLU . 88.1 tttt -28.19 -59.52 0.12 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.207 -179.388 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 52.4 p-10 -133.66 54.69 1.94 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.189 -179.044 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 80.3 ttt180 -161.51 125.85 3.39 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.117 171.876 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 75' ' ' PHE . . . . . . . . . . . . . 80.5 t80 -104.01 117.14 33.58 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.265 -177.889 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 33.5 t -127.22 141.1 51.82 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.19 -175.443 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 87.2 t -112.44 120.67 63.18 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.251 175.873 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 87.1 m-20 -90.76 132.47 35.82 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.293 -0.412 . . . . 0.0 111.292 175.455 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 58.9 mt -134.05 142.65 47.66 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.206 -170.206 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 66.5 t0 -89.68 111.75 22.8 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.285 -0.416 . . . . 0.0 111.202 -175.543 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 81' ' ' VAL . . . . . 0.496 ' O ' ' C ' ' A' ' 82' ' ' LYS . 53.0 t -119.37 -5.76 10.9 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.162 176.195 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 82' ' ' LYS . . . . . 0.496 ' C ' ' O ' ' A' ' 81' ' ' VAL . 87.6 tttt -27.47 -59.19 0.1 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.111 175.233 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 96.5 m-70 -82.72 -31.76 28.33 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.156 -175.053 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 84' ' ' PHE . . . . . . . . . . . . . 22.5 m-85 -71.51 151.52 43.84 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.28 -174.985 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 85' ' ' SER . . . . . 0.406 ' O ' ' HG ' ' A' ' 89' ' ' LEU . 70.2 m -99.21 137.71 20.44 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.028 174.594 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 81.9 Cg_exo -53.39 -34.32 70.62 Favored 'Trans proline' 0 N--CA 1.457 -0.618 0 C-N-CA 121.656 1.571 . . . . 0.0 111.178 177.214 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 99.3 mt-10 -78.87 -15.48 58.29 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.229 -0.442 . . . . 0.0 111.145 178.734 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 48.4 mt-10 -99.08 -13.22 19.92 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.106 177.815 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 89' ' ' LEU . . . . . 0.406 ' HG ' ' O ' ' A' ' 85' ' ' SER . 59.5 mt -72.44 132.52 44.01 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.319 -0.401 . . . . 0.0 111.196 178.148 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 98.7 mttt -122.18 45.55 2.32 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.154 170.662 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 90.1 t -66.37 120.35 13.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.139 -173.589 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 97.2 mttt -140.9 172.72 12.29 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.132 -168.913 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 33.4 m -123.71 164.99 20.81 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.063 -0.517 . . . . 0.0 111.213 167.567 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 27.1 tp -144.45 71.21 1.3 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.22 177.646 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 82.74 -104.17 2.51 Favored Glycine 0 CA--C 1.523 0.58 0 N-CA-C 111.176 -0.769 . . . . 0.0 111.176 -179.378 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 48.6 p-10 -102.82 23.35 12.27 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 120.734 0.302 . . . . 0.0 111.164 -177.523 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . 27.5 m -134.26 162.77 38.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.276 175.195 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 98' ' ' ILE . . . . . . . . . . . . . 62.1 mt -119.4 91.07 1.72 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.4 0 CA-C-N 116.319 -0.401 . . . . 0.0 111.227 175.214 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 87.3 tt0 -71.88 83.38 0.93 Allowed 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.158 -179.011 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 100' ' ' VAL . . . . . . . . . . . . . 62.1 t -75.74 80.48 0.59 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.211 179.618 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 101' ' ' HIS . . . . . . . . . . . . . 64.5 t-80 -87.37 141.88 28.3 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.248 178.962 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 102' ' ' GLY . . . . . 0.412 ' O ' ' HB3' ' A' ' 103' ' ' LYS . . . -157.8 -175.1 28.34 Favored Glycine 0 CA--C 1.523 0.585 0 N-CA-C 111.173 -0.771 . . . . 0.0 111.173 -179.418 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 103' ' ' LYS . . . . . 0.412 ' HB3' ' O ' ' A' ' 102' ' ' GLY . 65.5 pttt -177.17 152.18 0.86 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.831 0.348 . . . . 0.0 111.081 169.295 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 104' ' ' HIS . . . . . . . . . . . . . 8.6 p-80 -120.73 153.02 37.54 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.08 -0.509 . . . . 0.0 111.223 161.729 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 97.3 mt-10 -133.44 150.77 51.75 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.166 179.745 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 81.5 mm-40 45.84 58.18 4.55 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.141 -0.482 . . . . 0.0 111.226 -179.612 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 107' ' ' ARG . . . . . 0.436 ' HB3' HG13 ' A' ' 114' ' ' ILE . 7.7 tpt180 -104.46 82.47 1.92 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.096 -171.355 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 108' ' ' GLN . . . . . . . . . . . . . 70.6 tp60 -59.62 123.45 16.93 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.119 179.98 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 44.3 p30 -133.59 -158.17 0.87 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.212 179.059 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 99.9 mt-10 -69.16 -23.06 63.9 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.295 -0.411 . . . . 0.0 111.21 -176.923 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 111' ' ' HIS . . . . . . . . . . . . . 71.0 m80 -129.21 68.19 1.42 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.235 -171.422 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 84.93 -154.32 29.09 Favored Glycine 0 CA--C 1.524 0.61 0 N-CA-C 111.173 -0.771 . . . . 0.0 111.173 -174.704 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 113' ' ' PHE . . . . . 0.401 ' CD1' ' C ' ' A' ' 113' ' ' PHE . 3.0 p90 -121.06 150.22 41.52 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.768 0.318 . . . . 0.0 111.159 162.305 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 114' ' ' ILE . . . . . 0.436 HG13 ' HB3' ' A' ' 107' ' ' ARG . 37.4 pt -119.96 150.87 22.52 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.124 -175.248 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 42.7 t -142.86 108.01 4.97 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.227 174.835 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 116' ' ' ARG . . . . . . . . . . . . . 72.4 mtp180 -130.28 137.91 50.22 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.208 -165.311 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 72.9 mm-40 -85.12 161.74 19.54 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.189 168.536 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 118' ' ' PHE . . . . . . . . . . . . . 29.1 t80 -139.96 141.16 36.45 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.225 -178.676 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 119' ' ' HIS . . . . . 0.4 ' O ' ' CG ' ' A' ' 119' ' ' HIS . 15.7 t-160 -162.53 60.95 0.21 Allowed 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.31 -0.404 . . . . 0.0 111.265 -172.602 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 40.4 ttm180 -89.88 103.67 16.3 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.248 178.824 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 121' ' ' LYS . . . . . . . . . . . . . 41.1 ttmt -96.47 106.89 19.21 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.299 -178.399 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 122' ' ' TYR . . . . . . . . . . . . . 37.3 m-85 -76.23 160.79 29.34 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.282 175.814 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 123' ' ' ARG . . . . . . . . . . . . . 11.1 mpt_? -107.11 123.5 48.33 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.124 166.365 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 124' ' ' ILE . . . . . . . . . . . . . 90.7 mt -73.75 125.1 90.68 Favored Pre-proline 0 C--N 1.328 -0.347 0 CA-C-N 116.043 -0.526 . . . . 0.0 111.274 -175.18 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 125' ' ' PRO . . . . . . . . . . . . . 78.7 Cg_exo -52.06 144.14 38.45 Favored 'Trans proline' 0 N--CA 1.457 -0.633 0 C-N-CA 121.768 1.645 . . . . 0.0 111.23 175.009 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . -58.02 -22.88 51.83 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.237 -177.544 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 127' ' ' ASP . . . . . . . . . . . . . 81.1 m-20 -97.67 9.23 43.07 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.196 -176.957 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 128' ' ' VAL . . . . . . . . . . . . . 98.3 t -112.29 122.84 67.3 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.278 170.874 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 60.1 t0 -85.33 122.11 73.72 Favored Pre-proline 0 C--N 1.33 -0.28 0 CA-C-N 116.091 -0.504 . . . . 0.0 111.253 176.794 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 130' ' ' PRO . . . . . . . . . . . . . 74.7 Cg_exo -50.25 -34.22 39.21 Favored 'Trans proline' 0 C--N 1.328 -0.539 0 C-N-CA 121.738 1.625 . . . . 0.0 111.192 -178.71 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 131' ' ' LEU . . . . . . . . . . . . . 95.7 mt -73.79 -22.39 59.84 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.282 -175.526 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 132' ' ' THR . . . . . . . . . . . . . 77.5 p -94.14 2.17 56.0 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.264 -177.264 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 133' ' ' ILE . . . . . . . . . . . . . 93.9 mt -85.11 122.6 38.42 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.262 177.972 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 134' ' ' THR . . . . . . . . . . . . . 60.9 p -109.73 168.35 9.48 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.307 -0.406 . . . . 0.0 111.105 175.989 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 135' ' ' SER . . . . . . . . . . . . . 35.7 t -144.56 135.69 25.19 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.265 -176.711 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 136' ' ' SER . . . . . . . . . . . . . 99.6 p -145.19 150.99 37.71 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.17 177.284 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 137' ' ' LEU . . . . . . . . . . . . . 56.7 tp -133.74 129.27 36.45 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.126 -172.833 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 138' ' ' SER . . . . . . . . . . . . . 60.0 p -88.33 166.65 14.14 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.128 177.931 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 139' ' ' SER . . . . . . . . . . . . . 89.4 p -73.95 -13.16 60.84 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.181 177.308 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 140' ' ' ASP . . . . . . . . . . . . . 92.7 m-20 -84.9 -8.56 58.72 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.062 177.878 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 141' ' ' GLY . . . . . . . . . . . . . . . 89.97 31.16 11.32 Favored Glycine 0 CA--C 1.524 0.607 0 N-CA-C 111.21 -0.756 . . . . 0.0 111.21 -179.772 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 142' ' ' VAL . . . . . . . . . . . . . 66.6 t -99.61 104.87 16.64 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.364 0 CA-C-O 120.802 0.334 . . . . 0.0 111.134 174.488 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 143' ' ' LEU . . . . . . . . . . . . . 56.3 tp -102.52 126.71 49.67 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.19 -177.807 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 144' ' ' THR . . . . . . . . . . . . . 93.6 m -122.97 117.38 25.38 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.175 -176.669 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 145' ' ' VAL . . . . . . . . . . . . . 57.4 t -121.03 113.4 39.58 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.101 177.75 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 146' ' ' ASP . . . . . . . . . . . . . 9.9 p-10 -142.75 134.91 27.35 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.233 -159.437 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 147' ' ' GLY . . . . . . . . . . . . . . . -123.97 105.12 0.87 Allowed Glycine 0 CA--C 1.523 0.553 0 N-CA-C 111.262 -0.735 . . . . 0.0 111.262 173.152 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 148' ' ' PRO . . . . . 0.415 ' O ' ' C ' ' A' ' 149' ' ' ARG . 87.5 Cg_exo -66.43 -21.73 53.18 Favored 'Trans proline' 0 N--CA 1.458 -0.6 0 C-N-CA 121.688 1.592 . . . . 0.0 111.251 -162.803 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 149' ' ' ARG . . . . . 0.415 ' C ' ' O ' ' A' ' 148' ' ' PRO . 72.1 ttt180 . . . . . 0 C--N 1.329 -0.298 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.193 -172.197 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 67' ' ' GLU . . . . . . . . . . . . . 97.1 mt-10 . . . . . 0 CA--C 1.524 -0.057 0 CA-C-O 120.849 0.357 . . . . 0.0 111.149 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' B' B ' 68' ' ' MET . . . . . . . . . . . . . 75.0 mtm -106.58 118.74 37.47 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.146 177.897 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 69' ' ' ARG . . . . . . . . . . . . . 79.2 ttt180 -84.16 107.28 16.39 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.178 179.418 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 70' ' ' LEU . . . . . . . . . . . . . 57.6 tp -106.97 97.14 6.95 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.248 175.289 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 71' ' ' GLU . . . . . 0.502 ' O ' ' C ' ' B' ' 72' ' ' LYS . 77.2 mm-40 -73.38 163.51 27.97 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.091 -0.504 . . . . 0.0 111.146 172.08 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 72' ' ' LYS . . . . . 0.502 ' C ' ' O ' ' B' ' 71' ' ' GLU . 88.0 tttt -28.19 -59.64 0.12 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.19 -179.436 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 73' ' ' ASP . . . . . . . . . . . . . 52.3 p-10 -133.61 54.9 1.92 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.266 -0.425 . . . . 0.0 111.136 -179.101 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 74' ' ' ARG . . . . . . . . . . . . . 80.3 ttt180 -161.63 125.74 3.32 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.189 171.847 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 75' ' ' PHE . . . . . . . . . . . . . 80.5 t80 -103.99 117.21 33.75 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.17 -177.741 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 76' ' ' SER . . . . . . . . . . . . . 33.4 t -127.34 141.13 51.78 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.219 -175.513 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 77' ' ' VAL . . . . . . . . . . . . . 87.1 t -112.58 120.77 63.52 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.121 176.021 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 78' ' ' ASN . . . . . . . . . . . . . 87.1 m-20 -90.86 132.53 35.84 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.18 -0.463 . . . . 0.0 111.208 175.547 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 79' ' ' LEU . . . . . . . . . . . . . 58.3 mt -134.15 142.55 47.5 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.182 -170.179 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 80' ' ' ASP . . . . . . . . . . . . . 66.6 t0 -89.56 111.78 22.79 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.268 -175.577 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 81' ' ' VAL . . . . . 0.487 HG11 ' O ' ' B' ' 81' ' ' VAL . 54.6 t -119.25 -6.02 11.05 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.291 176.2 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 82' ' ' LYS . . . . . 0.482 ' C ' ' O ' ' B' ' 81' ' ' VAL . 87.6 tttt -27.54 -59.03 0.1 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.148 175.36 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 83' ' ' HIS . . . . . . . . . . . . . 96.6 m-70 -82.72 -31.74 28.33 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.947 0.403 . . . . 0.0 111.279 -175.181 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 84' ' ' PHE . . . . . . . . . . . . . 22.5 m-85 -71.49 151.5 43.87 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.103 -174.95 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 85' ' ' SER . . . . . . . . . . . . . 69.0 m -99.09 137.68 20.48 Favored Pre-proline 0 C--N 1.331 -0.233 0 CA-C-N 116.121 -0.491 . . . . 0.0 111.262 174.302 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 86' ' ' PRO . . . . . . . . . . . . . 82.1 Cg_exo -53.37 -34.46 71.03 Favored 'Trans proline' 0 N--CA 1.457 -0.652 0 C-N-CA 121.788 1.659 . . . . 0.0 111.063 177.286 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 87' ' ' GLU . . . . . . . . . . . . . 99.2 mt-10 -78.68 -15.53 58.37 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.308 -0.405 . . . . 0.0 111.207 178.664 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 88' ' ' GLU . . . . . . . . . . . . . 48.3 mt-10 -98.99 -13.25 19.99 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.233 177.8 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 89' ' ' LEU . . . . . . . . . . . . . 58.3 mt -72.58 132.48 43.83 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.191 178.165 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 90' ' ' LYS . . . . . . . . . . . . . 98.6 mttt -122.01 45.46 2.33 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.103 -0.499 . . . . 0.0 111.305 170.67 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 91' ' ' VAL . . . . . . . . . . . . . 90.3 t -66.34 120.25 13.11 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.139 -173.464 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 92' ' ' LYS . . . . . . . . . . . . . 97.2 mttt -140.89 172.74 12.26 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.244 -168.965 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 93' ' ' VAL . . . . . . . . . . . . . 33.3 m -123.65 164.97 20.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.278 167.591 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 94' ' ' LEU . . . . . . . . . . . . . 27.3 tp -144.45 71.02 1.3 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.181 177.764 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 95' ' ' GLY . . . . . . . . . . . . . . . 82.77 -104.15 2.52 Favored Glycine 0 CA--C 1.523 0.586 0 N-CA-C 111.207 -0.757 . . . . 0.0 111.207 -179.395 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 96' ' ' ASP . . . . . . . . . . . . . 48.7 p-10 -102.78 23.39 12.18 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.776 0.322 . . . . 0.0 111.158 -177.555 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 97' ' ' VAL . . . . . . . . . . . . . 27.6 m -134.35 162.84 38.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.333 -0.394 . . . . 0.0 111.187 175.151 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 98' ' ' ILE . . . . . . . . . . . . . 62.8 mt -119.55 91.08 1.72 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.131 175.359 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 99' ' ' GLU . . . . . . . . . . . . . 87.3 tt0 -71.86 83.38 0.92 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.103 -179.002 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 100' ' ' VAL . . . . . . . . . . . . . 61.8 t -75.78 80.62 0.6 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.211 179.592 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 101' ' ' HIS . . . . . . . . . . . . . 64.0 t-80 -87.37 141.83 28.34 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.322 178.887 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 102' ' ' GLY . . . . . 0.414 ' O ' ' HB3' ' B' ' 103' ' ' LYS . . . -157.77 -175.04 28.24 Favored Glycine 0 CA--C 1.523 0.583 0 N-CA-C 111.145 -0.782 . . . . 0.0 111.145 -179.423 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 103' ' ' LYS . . . . . 0.414 ' HB3' ' O ' ' B' ' 102' ' ' GLY . 65.4 pttt -177.2 152.23 0.86 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.822 0.344 . . . . 0.0 111.129 169.317 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 104' ' ' HIS . . . . . . . . . . . . . 8.7 p-80 -120.85 153.03 37.67 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.251 161.754 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 105' ' ' GLU . . . . . . . . . . . . . 97.3 mt-10 -133.44 150.83 51.75 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.181 179.781 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 106' ' ' GLU . . . . . . . . . . . . . 81.5 mm-40 45.74 58.21 4.48 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.227 -179.606 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 107' ' ' ARG . . . . . 0.423 ' HB3' HG13 ' B' ' 114' ' ' ILE . 7.7 tpt180 -104.37 82.28 1.91 Allowed 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.182 -171.357 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 108' ' ' GLN . . . . . . . . . . . . . 70.7 tp60 -59.55 123.23 16.2 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.209 -179.968 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 109' ' ' ASP . . . . . . . . . . . . . 44.7 p30 -133.4 -158.2 0.87 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.134 -0.484 . . . . 0.0 111.289 179.05 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 110' ' ' GLU . . . . . . . . . . . . . 99.9 mt-10 -68.96 -23.14 64.1 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.327 -0.397 . . . . 0.0 111.177 -176.931 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 111' ' ' HIS . . . . . . . . . . . . . 71.2 m80 -129.24 68.03 1.42 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.162 -171.217 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 112' ' ' GLY . . . . . . . . . . . . . . . 85.07 -154.31 28.89 Favored Glycine 0 CA--C 1.524 0.649 0 N-CA-C 111.189 -0.765 . . . . 0.0 111.189 -174.755 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 113' ' ' PHE . . . . . . . . . . . . . 3.0 p90 -121.06 150.36 41.3 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 120.863 0.363 . . . . 0.0 111.129 162.156 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 114' ' ' ILE . . . . . 0.423 HG13 ' HB3' ' B' ' 107' ' ' ARG . 37.5 pt -120.05 150.88 22.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.185 -175.323 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 115' ' ' SER . . . . . . . . . . . . . 42.6 t -142.85 107.91 4.95 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.187 174.924 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 116' ' ' ARG . . . . . . . . . . . . . 72.3 mtp180 -130.22 137.92 50.3 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.075 -0.511 . . . . 0.0 111.235 -165.429 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 117' ' ' GLU . . . . . . . . . . . . . 72.9 mm-40 -85.06 161.8 19.57 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.218 168.532 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 118' ' ' PHE . . . . . . . . . . . . . 29.3 t80 -140.06 141.11 36.26 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.229 -0.442 . . . . 0.0 111.211 -178.684 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 119' ' ' HIS . . . . . . . . . . . . . 15.6 t-160 -162.42 61.01 0.22 Allowed 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.197 -172.595 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 120' ' ' ARG . . . . . . . . . . . . . 40.4 ttm180 -89.93 103.61 16.26 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.192 178.884 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 121' ' ' LYS . . . . . . . . . . . . . 41.1 ttmt -96.48 107.02 19.36 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.232 -178.39 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 122' ' ' TYR . . . . . . . . . . . . . 37.5 m-85 -76.33 160.78 29.29 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.133 175.827 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 123' ' ' ARG . . . . . . . . . . . . . 11.1 mpt_? -107.06 123.62 48.48 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.133 166.259 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 124' ' ' ILE . . . . . . . . . . . . . 90.8 mt -73.91 125.26 90.42 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-N 116.086 -0.507 . . . . 0.0 111.06 -175.117 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 125' ' ' PRO . . . . . . . . . . . . . 77.9 Cg_exo -52.14 144.25 38.74 Favored 'Trans proline' 0 N--CA 1.458 -0.567 0 C-N-CA 121.778 1.652 . . . . 0.0 111.076 174.893 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 126' ' ' ALA . . . . . . . . . . . . . . . -58.15 -22.85 52.98 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.075 -0.511 . . . . 0.0 111.105 -177.535 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 127' ' ' ASP . . . . . . . . . . . . . 81.1 m-20 -97.58 9.18 43.15 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.292 -0.413 . . . . 0.0 111.223 -176.953 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 128' ' ' VAL . . . . . . . . . . . . . 98.5 t -112.32 122.7 67.06 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.304 170.986 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 129' ' ' ASP . . . . . . . . . . . . . 60.1 t0 -85.26 122.09 73.82 Favored Pre-proline 0 C--N 1.33 -0.275 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.215 176.796 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 130' ' ' PRO . . . . . . . . . . . . . 74.3 Cg_exo -50.3 -34.1 39.27 Favored 'Trans proline' 0 C--N 1.327 -0.573 0 C-N-CA 121.676 1.584 . . . . 0.0 111.147 -178.745 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 131' ' ' LEU . . . . . . . . . . . . . 95.7 mt -73.89 -22.38 59.73 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.249 -175.492 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 132' ' ' THR . . . . . . . . . . . . . 76.8 p -94.16 2.17 55.99 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.175 -177.215 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 133' ' ' ILE . . . . . . . . . . . . . 93.7 mt -85.05 122.45 38.22 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.231 177.974 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 134' ' ' THR . . . . . . . . . . . . . 62.6 p -109.72 168.48 9.38 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.343 -0.39 . . . . 0.0 111.112 175.896 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 135' ' ' SER . . . . . . . . . . . . . 35.2 t -144.6 135.7 25.13 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.191 -176.673 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 136' ' ' SER . . . . . . . . . . . . . 99.6 p -145.07 150.95 37.75 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.242 177.265 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 137' ' ' LEU . . . . . . . . . . . . . 56.7 tp -133.72 129.17 36.35 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.243 -172.889 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 138' ' ' SER . . . . . . . . . . . . . 59.0 p -88.23 166.55 14.27 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.266 177.949 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 139' ' ' SER . . . . . . . . . . . . . 89.0 p -73.78 -13.38 60.94 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.264 -0.426 . . . . 0.0 111.197 177.273 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 140' ' ' ASP . . . . . . . . . . . . . 92.7 m-20 -84.71 -8.58 58.8 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.295 177.822 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 141' ' ' GLY . . . . . . . . . . . . . . . 90.04 31.02 11.4 Favored Glycine 0 CA--C 1.523 0.569 0 N-CA-C 111.227 -0.749 . . . . 0.0 111.227 -179.858 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 142' ' ' VAL . . . . . . . . . . . . . 66.6 t -99.51 104.9 16.66 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-O 120.812 0.339 . . . . 0.0 111.175 174.537 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 143' ' ' LEU . . . . . . . . . . . . . 56.3 tp -102.6 126.67 49.76 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.197 -177.731 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 144' ' ' THR . . . . . . . . . . . . . 93.0 m -122.94 117.33 25.28 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.295 -176.721 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 145' ' ' VAL . . . . . . . . . . . . . 57.8 t -121.0 113.4 39.6 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.24 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.168 177.735 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 146' ' ' ASP . . . . . . . . . . . . . 9.9 p-10 -142.63 134.96 27.63 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.178 -159.419 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 147' ' ' GLY . . . . . . . . . . . . . . . -123.94 105.14 0.87 Allowed Glycine 0 CA--C 1.523 0.532 0 N-CA-C 111.253 -0.739 . . . . 0.0 111.253 173.106 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 148' ' ' PRO . . . . . 0.405 ' O ' ' C ' ' B' ' 149' ' ' ARG . 88.1 Cg_exo -66.52 -21.67 52.63 Favored 'Trans proline' 0 N--CA 1.458 -0.615 0 C-N-CA 121.76 1.64 . . . . 0.0 111.227 -162.784 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 149' ' ' ARG . . . . . 0.405 ' C ' ' O ' ' B' ' 148' ' ' PRO . 72.2 ttt180 . . . . . 0 C--N 1.328 -0.327 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.175 -172.215 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 88.4 tt0 . . . . . 0 N--CA 1.456 -0.138 0 CA-C-O 120.777 0.322 . . . . 0.0 111.197 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 68' ' ' MET . . . . . . . . . . . . . 1.9 pmm? -82.81 157.8 23.03 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.084 -0.507 . . . . 0.0 111.214 176.08 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 60.0 ttp180 -127.68 139.79 52.49 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.145 -178.208 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 55.8 mt -99.93 100.78 11.74 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.095 169.717 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 71' ' ' GLU . . . . . 0.548 ' O ' ' C ' ' A' ' 72' ' ' LYS . 95.8 mt-10 -68.38 -176.3 0.74 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.115 174.367 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 72' ' ' LYS . . . . . 0.548 ' C ' ' O ' ' A' ' 71' ' ' GLU . 88.0 tttt -27.15 -60.17 0.09 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.065 -168.516 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 58.7 p30 -142.54 26.78 1.74 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.159 -172.683 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 15.6 ptm180 -146.15 171.29 15.13 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.201 -172.01 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 75' ' ' PHE . . . . . . . . . . . . . 10.5 p90 -119.99 146.96 45.36 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.093 -0.503 . . . . 0.0 111.311 -179.054 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 36.2 t -139.37 121.3 15.57 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.138 179.819 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 96.9 t -99.47 110.62 27.07 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.372 0 CA-C-N 116.309 -0.405 . . . . 0.0 111.129 -174.36 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 77.0 m-20 -92.59 104.94 17.19 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.183 -179.732 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 86.3 mt -97.04 133.51 41.61 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.188 -173.531 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 67.4 t0 -83.55 104.47 13.7 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.235 174.54 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 34.6 m -131.72 3.77 1.81 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.411 0 CA-C-N 116.291 -0.413 . . . . 0.0 111.171 -171.746 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 88.4 tttt -47.32 -48.84 25.08 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.357 -0.383 . . . . 0.0 111.251 177.351 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 20.7 p-80 -77.29 -20.53 54.9 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.174 -174.667 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 84' ' ' PHE . . . . . . . . . . . . . 20.3 m-30 -72.26 145.25 48.04 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.215 178.481 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 85' ' ' SER . . . . . 0.446 ' O ' ' N ' ' A' ' 89' ' ' LEU . 72.3 m -100.29 148.82 35.43 Favored Pre-proline 0 C--N 1.328 -0.336 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.212 175.532 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 71.8 Cg_exo -54.19 -33.21 73.91 Favored 'Trans proline' 0 N--CA 1.458 -0.594 0 C-N-CA 121.674 1.583 . . . . 0.0 111.206 177.429 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 99.1 mt-10 -80.28 -18.17 50.07 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.294 -0.412 . . . . 0.0 111.203 -179.885 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 60.4 mt-10 -104.87 -13.61 15.77 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.248 178.978 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 89' ' ' LEU . . . . . 0.446 ' N ' ' O ' ' A' ' 85' ' ' SER . 58.6 tp -102.85 112.72 25.66 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.228 -169.196 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 98.3 mttt -119.53 81.47 1.73 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.214 178.648 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 86.1 t -90.75 127.57 43.12 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-N 116.311 -0.404 . . . . 0.0 111.069 177.374 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 87.7 tttt -149.67 128.77 12.72 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.168 -171.862 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 74.5 t -72.65 97.47 0.76 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.191 171.864 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 94' ' ' LEU . . . . . 0.4 ' HB3' HG21 ' A' ' 97' ' ' VAL . 59.8 tp -97.34 78.42 2.71 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.083 -0.508 . . . . 0.0 111.238 -162.014 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 70.3 -106.66 1.9 Allowed Glycine 0 CA--C 1.523 0.533 0 N-CA-C 111.282 -0.727 . . . . 0.0 111.282 175.483 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 49.6 p-10 -95.93 2.53 53.61 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.771 0.32 . . . . 0.0 111.196 -177.78 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 97' ' ' VAL . . . . . 0.458 ' HA ' ' HA ' ' A' ' 123' ' ' ARG . 31.9 m -128.7 175.12 10.89 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.079 -0.509 . . . . 0.0 111.203 172.479 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 98' ' ' ILE . . . . . . . . . . . . . 72.0 mt -116.97 92.22 2.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.118 174.579 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 83.0 tt0 -62.51 130.66 46.14 Favored 'General case' 0 C--N 1.328 -0.37 0 CA-C-N 116.294 -0.412 . . . . 0.0 111.216 -176.799 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 100' ' ' VAL . . . . . . . . . . . . . 28.7 t -119.43 91.77 1.93 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.258 166.563 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 101' ' ' HIS . . . . . . . . . . . . . 57.8 t-80 -103.05 64.75 0.85 Allowed 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.209 -171.842 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . -95.14 176.38 34.32 Favored Glycine 0 CA--C 1.523 0.533 0 N-CA-C 111.282 -0.727 . . . . 0.0 111.282 -175.436 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 64.8 pttt -174.71 155.07 2.09 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.797 0.332 . . . . 0.0 111.124 169.241 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 104' ' ' HIS . . . . . 0.604 ' HD1' ' C ' ' A' ' 104' ' ' HIS . 0.3 OUTLIER -134.36 102.46 5.35 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.074 -0.512 . . . . 0.0 111.187 168.236 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 88.6 tt0 -81.45 144.44 31.38 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.184 179.581 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 94.2 mt-10 63.27 52.96 2.31 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.18 -173.531 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 60.3 ttt-85 -108.64 92.07 3.9 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.296 -0.411 . . . . 0.0 111.195 -174.17 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 108' ' ' GLN . . . . . . . . . . . . . 66.4 tt0 -58.39 120.33 8.57 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.237 177.656 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 53.1 p30 -160.36 -149.79 0.2 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.178 -173.089 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 88.5 tt0 -45.5 -67.36 0.29 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.176 -176.026 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 111' ' ' HIS . . . . . . . . . . . . . 98.0 m-70 -96.76 78.19 2.88 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.203 -175.006 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 69.63 -111.85 4.11 Favored Glycine 0 CA--C 1.524 0.598 0 N-CA-C 111.218 -0.753 . . . . 0.0 111.218 -179.616 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 113' ' ' PHE . . . . . . . . . . . . . 46.7 p90 -138.3 153.92 49.02 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.814 0.34 . . . . 0.0 111.154 162.005 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 114' ' ' ILE . . . . . 0.418 ' C ' ' CD1' ' A' ' 114' ' ' ILE . 2.3 pp -120.69 164.85 16.77 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.16 -167.59 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 46.9 t -138.73 99.19 3.74 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.292 161.858 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 116' ' ' ARG . . . . . . . . . . . . . 89.1 mtm180 -112.83 111.47 22.26 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.238 -167.591 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 86.3 tt0 -85.57 104.53 15.41 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.344 -0.389 . . . . 0.0 111.189 176.627 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 118' ' ' PHE . . . . . . . . . . . . . 74.4 m-85 -84.18 163.26 19.85 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.214 -173.86 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 119' ' ' HIS . . . . . . . . . . . . . 9.4 t-160 -163.6 62.45 0.17 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.067 178.902 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 79.8 mtt-85 -84.53 103.2 13.46 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.222 -172.621 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 121' ' ' LYS . . . . . . . . . . . . . 97.2 mttt -85.6 85.6 7.41 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.221 175.393 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 122' ' ' TYR . . . . . 0.443 ' CD1' ' C ' ' A' ' 122' ' ' TYR . 4.7 t80 -81.39 109.86 16.28 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.296 -0.411 . . . . 0.0 111.186 179.382 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 123' ' ' ARG . . . . . 0.458 ' HA ' ' HA ' ' A' ' 97' ' ' VAL . 7.4 ttp180 -77.44 139.76 39.72 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.284 -159.998 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 124' ' ' ILE . . . . . . . . . . . . . 72.4 mt -89.49 133.59 34.28 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.294 -172.626 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 125' ' ' PRO . . . . . . . . . . . . . 75.1 Cg_exo -50.49 147.0 17.99 Favored 'Trans proline' 0 N--CA 1.458 -0.615 0 C-N-CA 121.661 1.574 . . . . 0.0 111.182 173.37 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . -61.99 -14.89 39.68 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.178 -177.104 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 127' ' ' ASP . . . . . . . . . . . . . 78.8 m-20 -99.68 -17.31 17.83 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.194 -175.421 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 128' ' ' VAL . . . . . . . . . . . . . 83.3 t -94.98 140.13 17.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.155 -178.826 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 85.6 m-20 -109.82 154.49 42.52 Favored Pre-proline 0 C--N 1.328 -0.327 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.204 179.084 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 130' ' ' PRO . . . . . . . . . . . . . 82.1 Cg_exo -53.19 -31.92 57.6 Favored 'Trans proline' 0 N--CA 1.458 -0.575 0 C-N-CA 121.739 1.626 . . . . 0.0 111.235 -179.882 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 131' ' ' LEU . . . . . . . . . . . . . 95.8 mt -81.76 -31.79 31.78 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.166 -174.777 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 132' ' ' THR . . . . . . . . . . . . . 82.2 p -72.47 -23.46 61.05 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.202 178.832 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 133' ' ' ILE . . . . . . . . . . . . . 93.6 mt -73.81 127.68 35.81 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.383 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.292 177.008 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 134' ' ' THR . . . . . . . . . . . . . 98.2 m -112.18 132.68 54.75 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.177 -178.804 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 135' ' ' SER . . . . . . . . . . . . . 30.2 t -111.72 130.41 55.79 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.219 -179.976 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 136' ' ' SER . . . . . . . . . . . . . 42.6 t -141.75 127.05 18.66 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.243 -177.764 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 137' ' ' LEU . . . . . . . . . . . . . 63.6 tp -98.99 128.68 45.18 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.287 -0.415 . . . . 0.0 111.167 -175.93 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 138' ' ' SER . . . . . . . . . . . . . 59.7 p -86.57 166.07 15.71 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.173 177.405 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 139' ' ' SER . . . . . . . . . . . . . 88.7 p -76.8 -11.22 59.8 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.23 178.74 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 140' ' ' ASP . . . . . . . . . . . . . 89.2 m-20 -90.04 -1.86 58.03 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.067 -0.515 . . . . 0.0 111.125 178.995 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 141' ' ' GLY . . . . . . . . . . . . . . . 83.78 35.8 15.26 Favored Glycine 0 CA--C 1.524 0.624 0 N-CA-C 111.275 -0.73 . . . . 0.0 111.275 179.507 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 142' ' ' VAL . . . . . . . . . . . . . 62.0 t -115.53 108.15 24.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-O 120.851 0.358 . . . . 0.0 111.129 174.252 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 143' ' ' LEU . . . . . . . . . . . . . 62.1 tp -91.48 110.15 21.46 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.204 -177.74 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 144' ' ' THR . . . . . . . . . . . . . 97.1 m -96.54 115.41 27.38 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.229 -174.579 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 145' ' ' VAL . . . . . . . . . . . . . 60.3 t -120.26 113.38 40.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.153 -179.319 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 146' ' ' ASP . . . . . 0.708 ' OD1' ' O ' ' A' ' 146' ' ' ASP . 32.4 p30 -141.43 130.12 22.83 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.166 -159.045 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 147' ' ' GLY . . . . . . . . . . . . . . . -114.06 158.05 14.56 Favored Glycine 0 CA--C 1.522 0.518 0 N-CA-C 111.189 -0.764 . . . . 0.0 111.189 174.437 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 148' ' ' PRO . . . . . . . . . . . . . 56.8 Cg_endo -85.21 -45.61 0.05 OUTLIER 'Trans proline' 0 N--CA 1.458 -0.605 0 C-N-CA 121.748 1.632 . . . . 0.0 111.279 -162.948 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 149' ' ' ARG . . . . . . . . . . . . . 84.3 mtp180 . . . . . 0 C--N 1.328 -0.345 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.229 -163.622 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' B' B ' 67' ' ' GLU . . . . . . . . . . . . . 88.4 tt0 . . . . . 0 N--CA 1.457 -0.116 0 CA-C-O 120.743 0.306 . . . . 0.0 111.164 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' B' B ' 68' ' ' MET . . . . . . . . . . . . . 1.9 pmm? -82.61 157.87 23.26 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.305 175.943 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 69' ' ' ARG . . . . . . . . . . . . . 60.0 ttp180 -127.74 139.81 52.45 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.096 -178.162 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 70' ' ' LEU . . . . . . . . . . . . . 55.5 mt -99.95 100.64 11.56 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.14 169.664 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 71' ' ' GLU . . . . . 0.56 ' O ' ' C ' ' B' ' 72' ' ' LYS . 95.7 mt-10 -68.11 -176.25 0.69 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.202 174.28 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 72' ' ' LYS . . . . . 0.56 ' C ' ' O ' ' B' ' 71' ' ' GLU . 88.0 tttt -27.29 -60.24 0.1 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.067 -168.446 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 73' ' ' ASP . . . . . . . . . . . . . 58.8 p30 -142.34 26.74 1.78 Allowed 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.173 -172.626 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 74' ' ' ARG . . . . . . . . . . . . . 15.6 ptm180 -146.3 171.29 15.21 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.234 -171.909 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 75' ' ' PHE . . . . . . . . . . . . . 10.6 p90 -120.07 146.92 45.46 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.214 -178.935 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 76' ' ' SER . . . . . . . . . . . . . 36.0 t -139.34 121.45 15.75 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.16 179.685 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 77' ' ' VAL . . . . . . . . . . . . . 94.4 t -99.59 110.72 27.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.156 -174.394 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 78' ' ' ASN . . . . . . . . . . . . . 77.1 m-20 -92.64 104.86 17.11 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.089 -0.505 . . . . 0.0 111.277 -179.771 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 79' ' ' LEU . . . . . . . . . . . . . 85.7 mt -96.91 133.65 41.27 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.224 -173.568 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 80' ' ' ASP . . . . . . . . . . . . . 67.4 t0 -83.65 104.65 13.94 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.185 174.558 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 81' ' ' VAL . . . . . . . . . . . . . 34.6 m -131.84 3.83 1.78 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.399 0 CA-C-N 116.307 -0.406 . . . . 0.0 111.235 -171.765 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 82' ' ' LYS . . . . . . . . . . . . . 88.3 tttt -47.37 -48.87 25.6 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.203 177.389 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 83' ' ' HIS . . . . . . . . . . . . . 20.8 p-80 -77.23 -20.54 55.11 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.2 -174.618 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 84' ' ' PHE . . . . . . . . . . . . . 20.3 m-30 -72.25 145.33 48.0 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.17 178.539 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 85' ' ' SER . . . . . 0.443 ' O ' ' N ' ' B' ' 89' ' ' LEU . 72.2 m -100.32 148.92 35.57 Favored Pre-proline 0 C--N 1.328 -0.342 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.207 175.422 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 86' ' ' PRO . . . . . . . . . . . . . 71.9 Cg_exo -54.16 -33.3 73.91 Favored 'Trans proline' 0 N--CA 1.458 -0.587 0 C-N-CA 121.715 1.61 . . . . 0.0 111.215 177.415 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 87' ' ' GLU . . . . . . . . . . . . . 99.2 mt-10 -80.28 -18.09 50.3 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.249 -179.854 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 88' ' ' GLU . . . . . . . . . . . . . 60.3 mt-10 -104.92 -13.55 15.76 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.236 178.936 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 89' ' ' LEU . . . . . 0.443 ' N ' ' O ' ' B' ' 85' ' ' SER . 58.7 tp -102.82 112.79 25.75 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.258 -169.227 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 90' ' ' LYS . . . . . . . . . . . . . 98.4 mttt -119.67 81.42 1.72 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.139 178.724 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 91' ' ' VAL . . . . . . . . . . . . . 86.9 t -90.58 127.46 43.05 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.385 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.201 177.314 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 92' ' ' LYS . . . . . 0.401 ' O ' ' N ' ' B' ' 99' ' ' GLU . 87.8 tttt -149.67 128.65 12.64 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.214 -171.78 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 93' ' ' VAL . . . . . . . . . . . . . 73.2 t -72.53 97.49 0.75 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.258 171.862 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 94' ' ' LEU . . . . . 0.544 ' O ' HG21 ' B' ' 97' ' ' VAL . 60.0 tp -97.44 78.42 2.68 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.202 -161.911 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 95' ' ' GLY . . . . . . . . . . . . . . . 70.22 -106.65 1.9 Allowed Glycine 0 CA--C 1.523 0.533 0 N-CA-C 111.294 -0.722 . . . . 0.0 111.294 175.575 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 96' ' ' ASP . . . . . . . . . . . . . 49.8 p-10 -95.81 2.39 53.76 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-O 120.789 0.328 . . . . 0.0 111.206 -177.765 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 97' ' ' VAL . . . . . 0.544 HG21 ' O ' ' B' ' 94' ' ' LEU . 32.9 m -128.7 175.2 10.71 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.27 172.395 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 98' ' ' ILE . . . . . . . . . . . . . 72.0 mt -117.03 92.11 2.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.19 174.591 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 99' ' ' GLU . . . . . 0.401 ' N ' ' O ' ' B' ' 92' ' ' LYS . 82.5 tt0 -62.42 130.67 46.28 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.197 -176.73 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 100' ' ' VAL . . . . . . . . . . . . . 30.5 t -119.48 91.81 1.95 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.179 166.608 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 101' ' ' HIS . . . . . . . . . . . . . 57.8 t-80 -102.98 64.72 0.86 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.246 -171.933 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 102' ' ' GLY . . . . . . . . . . . . . . . -95.1 176.43 34.41 Favored Glycine 0 CA--C 1.522 0.529 0 N-CA-C 111.215 -0.754 . . . . 0.0 111.215 -175.433 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 103' ' ' LYS . . . . . . . . . . . . . 64.8 pttt -174.76 154.94 2.04 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.769 0.319 . . . . 0.0 111.263 169.278 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 104' ' ' HIS . . . . . 0.587 ' HD1' ' C ' ' B' ' 104' ' ' HIS . 0.3 OUTLIER -134.3 102.62 5.42 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.162 168.139 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' B' B ' 105' ' ' GLU . . . . . . . . . . . . . 88.6 tt0 -81.4 144.47 31.4 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.195 179.5 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 106' ' ' GLU . . . . . . . . . . . . . 94.3 mt-10 63.05 53.18 2.38 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.217 -173.494 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 107' ' ' ARG . . . . . . . . . . . . . 60.3 ttt-85 -108.72 92.15 3.94 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.194 -174.176 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 108' ' ' GLN . . . . . . . . . . . . . 66.4 tt0 -58.51 120.33 8.63 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.136 177.762 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 109' ' ' ASP . . . . . . . . . . . . . 53.1 p30 -160.32 -149.7 0.2 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.221 -173.05 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 110' ' ' GLU . . . . . . . . . . . . . 88.5 tt0 -45.54 -67.43 0.28 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.137 -176.068 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 111' ' ' HIS . . . . . . . . . . . . . 97.9 m-70 -96.83 78.04 2.85 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.215 -174.884 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 112' ' ' GLY . . . . . . . . . . . . . . . 69.73 -111.8 4.07 Favored Glycine 0 CA--C 1.522 0.525 0 N-CA-C 111.14 -0.784 . . . . 0.0 111.14 -179.615 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 113' ' ' PHE . . . . . . . . . . . . . 46.5 p90 -138.16 153.89 49.18 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 120.798 0.332 . . . . 0.0 111.202 162.058 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 114' ' ' ILE . . . . . 0.418 ' CD1' ' C ' ' B' ' 114' ' ' ILE . 2.3 pp -120.8 164.87 16.87 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.203 -167.762 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 115' ' ' SER . . . . . . . . . . . . . 46.9 t -138.66 99.25 3.76 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.182 162.013 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 116' ' ' ARG . . . . . . . . . . . . . 89.1 mtm180 -112.96 111.51 22.31 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.16 -167.636 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 117' ' ' GLU . . . . . . . . . . . . . 86.3 tt0 -85.66 104.65 15.59 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.078 176.727 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 118' ' ' PHE . . . . . . . . . . . . . 74.6 m-85 -84.12 163.19 19.96 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.178 -173.814 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 119' ' ' HIS . . . . . . . . . . . . . 9.4 t-160 -163.64 62.34 0.17 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.169 178.741 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 120' ' ' ARG . . . . . . . . . . . . . 79.7 mtt-85 -84.29 103.13 13.22 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.22 -172.591 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 121' ' ' LYS . . . . . . . . . . . . . 97.3 mttt -85.61 85.48 7.41 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.238 175.39 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 122' ' ' TYR . . . . . 0.444 ' CD1' ' C ' ' B' ' 122' ' ' TYR . 4.7 t80 -81.19 109.96 16.23 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.156 179.356 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 123' ' ' ARG . . . . . 0.454 ' HA ' ' HA ' ' B' ' 97' ' ' VAL . 7.3 ttp180 -77.66 139.87 39.51 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.197 -159.982 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 124' ' ' ILE . . . . . . . . . . . . . 72.4 mt -89.56 133.55 34.26 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.219 -172.599 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 125' ' ' PRO . . . . . . . . . . . . . 77.5 Cg_exo -50.41 146.88 17.89 Favored 'Trans proline' 0 N--CA 1.459 -0.516 0 C-N-CA 121.615 1.543 . . . . 0.0 111.252 173.305 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 126' ' ' ALA . . . . . . . . . . . . . . . -61.94 -14.8 38.18 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.226 -177.154 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 127' ' ' ASP . . . . . . . . . . . . . 78.7 m-20 -99.65 -17.41 17.8 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.167 -175.446 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 128' ' ' VAL . . . . . . . . . . . . . 83.8 t -94.83 139.99 17.6 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.208 -178.768 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 129' ' ' ASP . . . . . . . . . . . . . 85.9 m-20 -109.86 154.56 42.52 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.169 179.063 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 130' ' ' PRO . . . . . . . . . . . . . 82.9 Cg_exo -53.19 -31.95 57.79 Favored 'Trans proline' 0 N--CA 1.458 -0.566 0 C-N-CA 121.699 1.599 . . . . 0.0 111.244 -179.89 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 131' ' ' LEU . . . . . . . . . . . . . 95.8 mt -81.84 -31.64 31.56 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.153 -174.712 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 132' ' ' THR . . . . . . . . . . . . . 82.0 p -72.45 -23.55 61.07 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.219 178.735 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 133' ' ' ILE . . . . . . . . . . . . . 93.9 mt -73.81 127.75 35.85 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.383 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.107 177.161 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 134' ' ' THR . . . . . . . . . . . . . 97.9 m -112.22 132.58 54.84 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.16 -178.78 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 135' ' ' SER . . . . . . . . . . . . . 30.1 t -111.63 130.52 55.73 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.317 -0.401 . . . . 0.0 111.25 179.947 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 136' ' ' SER . . . . . . . . . . . . . 42.6 t -141.84 127.0 18.5 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.188 -177.765 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 137' ' ' LEU . . . . . . . . . . . . . 63.3 tp -98.9 128.69 45.15 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.211 -176.026 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 138' ' ' SER . . . . . . . . . . . . . 59.6 p -86.65 166.11 15.61 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.214 177.405 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 139' ' ' SER . . . . . . . . . . . . . 87.8 p -76.77 -11.26 59.81 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.252 178.757 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 140' ' ' ASP . . . . . . . . . . . . . 89.3 m-20 -89.89 -1.84 58.06 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.05 -0.523 . . . . 0.0 111.222 178.905 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 141' ' ' GLY . . . . . . . . . . . . . . . 83.69 35.87 15.33 Favored Glycine 0 CA--C 1.523 0.534 0 N-CA-C 111.243 -0.743 . . . . 0.0 111.243 179.498 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 142' ' ' VAL . . . . . . . . . . . . . 60.5 t -115.6 108.15 24.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-O 120.867 0.365 . . . . 0.0 111.24 174.173 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 143' ' ' LEU . . . . . . . . . . . . . 62.3 tp -91.51 110.25 21.56 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.167 -177.661 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 144' ' ' THR . . . . . . . . . . . . . 97.6 m -96.48 115.43 27.41 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.162 -174.606 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 145' ' ' VAL . . . . . . . . . . . . . 60.3 t -120.28 113.32 39.98 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.121 -0.491 . . . . 0.0 111.255 -179.456 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 146' ' ' ASP . . . . . 0.716 ' OD1' ' O ' ' B' ' 146' ' ' ASP . 32.5 p30 -141.39 130.12 22.88 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.195 -159.008 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 147' ' ' GLY . . . . . . . . . . . . . . . -114.05 158.21 14.46 Favored Glycine 0 CA--C 1.522 0.526 0 N-CA-C 111.2 -0.76 . . . . 0.0 111.2 174.457 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 148' ' ' PRO . . . . . . . . . . . . . 56.4 Cg_endo -85.41 -45.62 0.05 OUTLIER 'Trans proline' 0 N--CA 1.457 -0.633 0 C-N-CA 121.8 1.667 . . . . 0.0 111.165 -162.79 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 149' ' ' ARG . . . . . . . . . . . . . 84.4 mtp180 . . . . . 0 C--N 1.329 -0.315 0 CA-C-N 116.275 -0.421 . . . . 0.0 111.177 -163.527 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 24.4 pm0 . . . . . 0 CA--C 1.522 -0.122 0 CA-C-O 120.848 0.356 . . . . 0.0 111.179 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 68' ' ' MET . . . . . . . . . . . . . 63.6 mtm -70.36 149.57 47.2 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.169 -0.468 . . . . 0.0 111.119 -178.164 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 79.7 ttt180 -125.01 97.18 5.15 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.186 -177.942 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 8.6 tt -96.77 106.07 18.31 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.194 175.938 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 71' ' ' GLU . . . . . 0.498 ' O ' ' C ' ' A' ' 72' ' ' LYS . 78.2 mm-40 -97.34 -177.25 3.77 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.245 176.769 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 72' ' ' LYS . . . . . 0.498 ' C ' ' O ' ' A' ' 71' ' ' GLU . 88.0 tttt -29.11 -57.35 0.14 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.21 -179.161 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 52.6 p-10 -137.92 42.2 2.28 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.168 -177.662 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 90.7 mmt-85 -137.21 171.19 14.87 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.305 -178.165 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 75' ' ' PHE . . . . . 0.538 ' CD2' ' O ' ' A' ' 75' ' ' PHE . 47.7 t80 -172.5 84.58 0.06 Allowed 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.189 174.886 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 82.5 p -112.53 172.88 6.65 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.198 -175.986 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 77' ' ' VAL . . . . . 0.447 HG11 ' H ' ' A' ' 145' ' ' VAL . 5.3 p -151.99 148.39 14.51 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.261 168.802 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 57.6 t-20 -137.32 107.96 6.58 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.284 -0.416 . . . . 0.0 111.182 -178.249 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 1.1 pt? -131.44 152.93 50.25 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.101 -178.801 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 65.5 t0 -99.54 119.37 37.93 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.195 -170.028 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 17.6 m -131.63 43.77 0.6 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.127 174.336 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 64.1 pttt -70.11 -18.88 63.26 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.134 -178.023 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 96.4 m-70 -83.82 -7.23 59.5 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.283 178.111 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 84' ' ' PHE . . . . . . . . . . . . . 36.2 m-85 -106.24 170.8 7.71 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.22 -176.145 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 75.6 m -124.66 153.0 69.98 Favored Pre-proline 0 C--N 1.328 -0.327 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.126 -178.05 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 74.3 Cg_exo -54.86 -26.76 49.9 Favored 'Trans proline' 0 N--CA 1.459 -0.541 0 C-N-CA 121.637 1.558 . . . . 0.0 111.209 177.365 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 99.0 mt-10 -87.24 -25.15 24.13 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.141 -0.482 . . . . 0.0 111.261 176.961 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 98.5 mt-10 -95.69 -7.43 37.43 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.24 -178.023 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 2.0 pp -136.33 147.68 47.53 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.202 177.918 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 83.7 tttt -152.98 119.22 5.51 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.239 176.439 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 97.5 t -73.04 117.39 16.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.239 175.682 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 99.1 mttt -123.69 174.69 7.31 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.339 -0.392 . . . . 0.0 111.207 179.381 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 33.7 m -129.19 161.21 39.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.069 172.898 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 22.1 tp -147.48 69.24 1.14 Allowed 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.182 173.989 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 82.55 -104.29 2.5 Favored Glycine 0 CA--C 1.523 0.578 0 N-CA-C 111.184 -0.766 . . . . 0.0 111.184 -177.669 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 85.1 m-20 -96.56 11.71 34.22 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.842 0.353 . . . . 0.0 111.13 -174.007 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . 28.0 m -126.83 161.27 33.86 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.233 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.173 178.683 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 98' ' ' ILE . . . . . 0.413 ' HB ' ' HB2' ' A' ' 122' ' ' TYR . 59.1 mt -119.02 68.51 0.29 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.234 173.78 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 99' ' ' GLU . . . . . 0.602 ' O ' ' HG3' ' A' ' 99' ' ' GLU . 21.7 pt-20 -54.95 100.95 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.11 -174.437 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 100' ' ' VAL . . . . . . . . . . . . . 73.9 t -78.23 94.72 1.59 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.067 174.519 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 101' ' ' HIS . . . . . . . . . . . . . 9.3 t-160 -78.46 84.65 4.59 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.163 -0.472 . . . . 0.0 111.198 -173.485 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . -105.05 155.26 17.14 Favored Glycine 0 CA--C 1.523 0.57 0 N-CA-C 111.152 -0.779 . . . . 0.0 111.152 -179.114 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 64.6 pttt -166.99 127.65 1.56 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.908 0.385 . . . . 0.0 111.138 173.312 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 104' ' ' HIS . . . . . 0.467 ' HD1' HH21 ' A' ' 116' ' ' ARG . 23.0 t-160 -113.13 103.41 11.33 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.17 174.386 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 90.9 mt-10 -91.59 154.99 18.68 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.141 -0.482 . . . . 0.0 111.165 -176.637 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 94.7 mt-10 60.34 53.84 4.16 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.195 177.706 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 49.5 ttt85 -106.65 108.49 20.03 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.194 -169.886 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 108' ' ' GLN . . . . . . . . . . . . . 69.5 tp60 -69.76 124.98 25.37 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.17 176.269 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 58.0 p-10 -146.31 -167.55 2.77 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.086 -0.506 . . . . 0.0 111.126 177.486 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 24.9 pm0 -66.3 -20.15 66.02 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.289 -0.414 . . . . 0.0 111.129 -177.008 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 111' ' ' HIS . . . . . 0.414 ' O ' ' HA ' ' B' ' 122' ' ' TYR . 56.4 m-70 -83.62 -42.52 16.62 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.334 -0.394 . . . . 0.0 111.273 178.739 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 156.25 -119.64 0.93 Allowed Glycine 0 CA--C 1.524 0.608 0 N-CA-C 111.266 -0.734 . . . . 0.0 111.266 -170.611 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 113' ' ' PHE . . . . . 0.4 ' O ' ' HB2' ' B' ' 121' ' ' LYS . 55.7 m-85 -114.39 117.59 31.47 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.746 0.308 . . . . 0.0 111.241 162.976 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 114' ' ' ILE . . . . . 0.444 HG22 ' HA ' ' B' ' 120' ' ' ARG . 46.3 pt -104.92 170.24 2.06 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.374 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.256 172.481 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 34.8 t -144.23 83.34 1.73 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.141 -0.482 . . . . 0.0 111.22 -176.955 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 116' ' ' ARG . . . . . 0.467 HH21 ' HD1' ' A' ' 104' ' ' HIS . 90.5 mtm180 -72.14 135.05 46.07 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.321 -0.4 . . . . 0.0 111.306 -172.555 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 87.5 tt0 -144.23 135.49 25.52 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.209 171.357 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 118' ' ' PHE . . . . . . . . . . . . . 23.3 p90 -161.24 168.43 24.12 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.215 -174.99 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 119' ' ' HIS . . . . . 0.83 ' ND1' ' O ' ' A' ' 119' ' ' HIS . 18.0 p80 -143.26 81.51 1.71 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.248 174.953 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 120' ' ' ARG . . . . . 0.445 ' HA ' HG22 ' B' ' 114' ' ' ILE . 87.0 mtt-85 -68.15 93.81 0.47 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.227 -163.639 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 121' ' ' LYS . . . . . . . . . . . . . 97.3 mttt -68.09 76.6 0.23 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.151 -179.532 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 122' ' ' TYR . . . . . 0.417 ' HA ' ' O ' ' B' ' 111' ' ' HIS . 40.4 m-85 -59.49 106.86 0.5 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.16 174.461 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 123' ' ' ARG . . . . . . . . . . . . . 14.8 tpt180 -78.78 113.58 16.98 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.197 -167.974 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 124' ' ' ILE . . . . . . . . . . . . . 85.2 mt -71.15 121.16 83.4 Favored Pre-proline 0 C--N 1.33 -0.247 0 CA-C-N 116.11 -0.495 . . . . 0.0 111.168 -175.152 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 125' ' ' PRO . . . . . . . . . . . . . 78.6 Cg_exo -51.09 143.55 31.61 Favored 'Trans proline' 0 N--CA 1.458 -0.617 0 C-N-CA 121.646 1.564 . . . . 0.0 111.243 174.196 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . -62.49 -13.82 34.69 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.205 -176.047 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 127' ' ' ASP . . . . . . . . . . . . . 83.0 m-20 -99.25 13.93 31.34 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.257 -177.347 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 128' ' ' VAL . . . . . . . . . . . . . 82.4 t -121.63 133.86 66.76 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.241 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.226 -179.397 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 64.0 t0 -84.02 119.37 73.3 Favored Pre-proline 0 C--N 1.33 -0.269 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.166 178.594 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 130' ' ' PRO . . . . . . . . . . . . . 46.8 Cg_endo -70.56 -14.23 33.38 Favored 'Trans proline' 0 N--CA 1.459 -0.545 0 C-N-CA 121.696 1.598 . . . . 0.0 111.208 -174.665 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 131' ' ' LEU . . . . . . . . . . . . . 95.9 mt -88.53 -1.48 58.08 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.223 -178.792 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 132' ' ' THR . . . . . . . . . . . . . 76.6 p -110.39 4.06 20.3 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.219 -178.73 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 133' ' ' ILE . . . . . . . . . . . . . 88.0 mt -95.09 121.84 46.02 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.276 -173.656 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 134' ' ' THR . . . . . . . . . . . . . 54.9 p -107.71 172.8 6.62 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.179 176.846 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 135' ' ' SER . . . . . . . . . . . . . 34.3 t -150.09 140.28 22.16 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.161 -177.816 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 136' ' ' SER . . . . . . . . . . . . . 89.9 p -148.61 156.36 42.31 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.331 -0.395 . . . . 0.0 111.186 179.106 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 137' ' ' LEU . . . . . . . . . . . . . 66.0 tp -134.27 119.35 18.62 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.237 -177.261 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 138' ' ' SER . . . . . . . . . . . . . 60.2 p -78.72 167.25 21.48 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 116.314 -0.403 . . . . 0.0 111.23 -178.99 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 139' ' ' SER . . . . . . . . . . . . . 86.2 p -70.11 -17.77 63.22 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.157 176.534 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 140' ' ' ASP . . . . . . . . . . . . . 93.4 m-20 -82.67 -10.3 58.99 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.201 176.988 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 141' ' ' GLY . . . . . . . . . . . . . . . 94.64 19.02 33.24 Favored Glycine 0 CA--C 1.524 0.615 0 N-CA-C 111.217 -0.753 . . . . 0.0 111.217 177.303 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 142' ' ' VAL . . . . . . . . . . . . . 68.2 t -84.44 101.77 9.45 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-O 120.7 0.286 . . . . 0.0 111.184 178.318 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 143' ' ' LEU . . . . . . . . . . . . . 60.1 tp -92.33 117.79 30.26 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.289 -0.414 . . . . 0.0 111.21 -179.363 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 144' ' ' THR . . . . . . . . . . . . . 98.8 m -121.84 126.9 49.83 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.13 -175.051 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 145' ' ' VAL . . . . . 0.447 ' H ' HG11 ' A' ' 77' ' ' VAL . 48.4 t -128.15 121.62 56.28 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.211 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.186 177.301 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 146' ' ' ASP . . . . . . . . . . . . . 61.8 t0 -152.93 123.39 7.2 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.264 -162.808 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 147' ' ' GLY . . . . . . . . . . . . . . . -139.83 131.16 5.01 Favored Glycine 0 CA--C 1.524 0.606 0 N-CA-C 111.245 -0.742 . . . . 0.0 111.245 174.888 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 148' ' ' PRO . . . . . . . . . . . . . 73.9 Cg_exo -54.04 146.38 48.24 Favored 'Trans proline' 0 N--CA 1.458 -0.605 0 C-N-CA 121.687 1.591 . . . . 0.0 111.219 177.526 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 149' ' ' ARG . . . . . . . . . . . . . 82.0 mtp180 . . . . . 0 C--N 1.329 -0.31 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.156 -179.471 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' B' B ' 67' ' ' GLU . . . . . . . . . . . . . 24.4 pm0 . . . . . 0 C--O 1.231 0.123 0 CA-C-O 120.754 0.311 . . . . 0.0 111.236 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' B' B ' 68' ' ' MET . . . . . . . . . . . . . 63.0 mtm -70.21 149.52 47.4 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.242 -178.195 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 69' ' ' ARG . . . . . . . . . . . . . 79.7 ttt180 -125.04 97.08 5.1 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.271 -177.974 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 70' ' ' LEU . . . . . . . . . . . . . 8.6 tt -96.68 106.14 18.36 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.06 176.102 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 71' ' ' GLU . . . . . 0.492 ' O ' ' C ' ' B' ' 72' ' ' LYS . 78.1 mm-40 -97.34 -177.22 3.75 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.257 -0.428 . . . . 0.0 111.176 176.707 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 72' ' ' LYS . . . . . 0.492 ' C ' ' O ' ' B' ' 71' ' ' GLU . 88.0 tttt -29.11 -57.36 0.14 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.147 -179.218 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 73' ' ' ASP . . . . . . . . . . . . . 52.6 p-10 -137.93 42.15 2.28 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.201 -177.581 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 74' ' ' ARG . . . . . . . . . . . . . 90.6 mmt-85 -137.24 171.15 14.91 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.089 -178.003 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 75' ' ' PHE . . . . . 0.531 ' CD2' ' O ' ' B' ' 75' ' ' PHE . 47.4 t80 -172.51 84.58 0.06 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.072 -0.513 . . . . 0.0 111.228 174.729 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 76' ' ' SER . . . . . . . . . . . . . 82.4 p -112.44 172.91 6.63 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.155 -175.976 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 77' ' ' VAL . . . . . 0.443 HG11 ' H ' ' B' ' 145' ' ' VAL . 5.1 p -151.96 148.39 14.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.273 168.775 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 78' ' ' ASN . . . . . . . . . . . . . 57.6 t-20 -137.36 108.01 6.59 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.157 -178.315 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 79' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -131.47 152.94 50.27 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.145 -178.821 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 80' ' ' ASP . . . . . . . . . . . . . 65.4 t0 -99.51 119.34 37.87 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.196 -169.985 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 81' ' ' VAL . . . . . . . . . . . . . 17.8 m -131.63 43.79 0.59 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.39 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.176 174.256 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 82' ' ' LYS . . . . . . . . . . . . . 64.0 pttt -69.98 -18.91 63.36 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.197 -178.137 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 83' ' ' HIS . . . . . . . . . . . . . 96.4 m-70 -83.76 -7.47 59.46 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.173 178.219 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 84' ' ' PHE . . . . . . . . . . . . . 37.1 m-85 -106.14 170.92 7.63 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.145 -176.1 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 85' ' ' SER . . . . . . . . . . . . . 75.7 m -124.73 152.99 70.22 Favored Pre-proline 0 C--N 1.328 -0.333 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.218 -178.155 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 86' ' ' PRO . . . . . . . . . . . . . 75.1 Cg_exo -54.84 -26.83 50.0 Favored 'Trans proline' 0 N--CA 1.459 -0.528 0 C-N-CA 121.602 1.534 . . . . 0.0 111.178 177.408 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 87' ' ' GLU . . . . . . . . . . . . . 99.1 mt-10 -87.23 -25.11 24.15 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.259 176.992 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 88' ' ' GLU . . . . . . . . . . . . . 98.5 mt-10 -95.64 -7.38 37.75 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.234 -178.083 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 89' ' ' LEU . . . . . . . . . . . . . 2.0 pp -136.38 147.62 47.42 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.164 178.03 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 90' ' ' LYS . . . . . . . . . . . . . 83.8 tttt -152.97 119.17 5.5 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.142 176.494 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 91' ' ' VAL . . . . . . . . . . . . . 97.0 t -73.07 117.45 16.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.187 175.658 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 92' ' ' LYS . . . . . . . . . . . . . 99.2 mttt -123.71 174.68 7.32 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.24 -0.437 . . . . 0.0 111.296 179.325 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 93' ' ' VAL . . . . . . . . . . . . . 33.7 m -129.22 161.32 38.87 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.275 -0.42 . . . . 0.0 111.15 172.829 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 94' ' ' LEU . . . . . . . . . . . . . 22.0 tp -147.56 69.18 1.14 Allowed 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.142 174.118 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 95' ' ' GLY . . . . . . . . . . . . . . . 82.64 -104.29 2.51 Favored Glycine 0 CA--C 1.523 0.553 0 N-CA-C 111.196 -0.762 . . . . 0.0 111.196 -177.64 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 96' ' ' ASP . . . . . . . . . . . . . 84.9 m-20 -96.59 11.62 34.58 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-O 120.941 0.4 . . . . 0.0 111.206 -174.023 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 97' ' ' VAL . . . . . . . . . . . . . 28.8 m -126.8 161.33 33.66 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.222 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.222 178.592 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 98' ' ' ILE . . . . . 0.413 ' HB ' ' HB2' ' B' ' 122' ' ' TYR . 58.8 mt -119.03 68.47 0.29 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.193 173.82 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 99' ' ' GLU . . . . . 0.601 ' O ' ' HG3' ' B' ' 99' ' ' GLU . 21.8 pt-20 -54.92 100.88 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.246 -174.541 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 100' ' ' VAL . . . . . . . . . . . . . 72.4 t -78.05 94.44 1.51 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.369 0 CA-C-N 116.268 -0.423 . . . . 0.0 111.2 174.556 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 101' ' ' HIS . . . . . . . . . . . . . 9.2 t-160 -78.23 84.6 4.43 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.145 -173.406 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 102' ' ' GLY . . . . . . . . . . . . . . . -105.03 155.29 17.14 Favored Glycine 0 CA--C 1.523 0.536 0 N-CA-C 111.243 -0.743 . . . . 0.0 111.243 -179.297 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 103' ' ' LYS . . . . . 0.4 ' HA ' ' O ' ' B' ' 116' ' ' ARG . 64.6 pttt -166.88 127.64 1.59 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.812 0.339 . . . . 0.0 111.179 173.303 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 104' ' ' HIS . . . . . 0.475 ' HD1' HH21 ' B' ' 116' ' ' ARG . 23.0 t-160 -113.04 103.28 11.22 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.157 174.417 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 105' ' ' GLU . . . . . . . . . . . . . 90.9 mt-10 -91.53 154.94 18.75 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.303 -0.408 . . . . 0.0 111.237 -176.658 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 106' ' ' GLU . . . . . . . . . . . . . 94.8 mt-10 60.43 53.68 4.15 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.296 -0.411 . . . . 0.0 111.318 177.771 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 107' ' ' ARG . . . . . . . . . . . . . 49.5 ttt85 -106.65 108.4 19.88 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.196 -169.766 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 108' ' ' GLN . . . . . . . . . . . . . 69.6 tp60 -69.58 124.84 24.97 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.275 176.224 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 109' ' ' ASP . . . . . . . . . . . . . 58.1 p-10 -146.12 -167.48 2.74 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.173 177.471 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 110' ' ' GLU . . . . . . . . . . . . . 24.9 pm0 -66.42 -20.1 65.97 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.147 -177.067 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 111' ' ' HIS . . . . . 0.417 ' O ' ' HA ' ' A' ' 122' ' ' TYR . 56.8 m-70 -83.69 -42.53 16.51 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.275 -0.42 . . . . 0.0 111.23 178.771 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 112' ' ' GLY . . . . . . . . . . . . . . . 156.28 -119.87 0.95 Allowed Glycine 0 CA--C 1.522 0.53 0 N-CA-C 111.164 -0.775 . . . . 0.0 111.164 -170.547 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 113' ' ' PHE . . . . . . . . . . . . . 55.3 m-85 -114.27 117.77 32.05 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-O 120.865 0.364 . . . . 0.0 111.145 162.934 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 114' ' ' ILE . . . . . 0.445 HG22 ' HA ' ' A' ' 120' ' ' ARG . 46.5 pt -105.03 170.22 2.08 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.202 172.421 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 115' ' ' SER . . . . . . . . . . . . . 35.1 t -144.2 83.37 1.73 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.181 -177.034 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 116' ' ' ARG . . . . . 0.475 HH21 ' HD1' ' B' ' 104' ' ' HIS . 90.5 mtm180 -71.97 135.09 46.31 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.31 -0.404 . . . . 0.0 111.332 -172.664 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 117' ' ' GLU . . . . . . . . . . . . . 87.5 tt0 -144.27 135.31 25.29 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.27 171.405 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 118' ' ' PHE . . . . . . . . . . . . . 23.5 p90 -161.15 168.39 24.36 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.208 -174.969 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 119' ' ' HIS . . . . . 0.849 ' O ' ' ND1' ' B' ' 119' ' ' HIS . 17.9 p80 -143.22 81.47 1.71 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.21 174.896 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 120' ' ' ARG . . . . . 0.444 ' HA ' HG22 ' A' ' 114' ' ' ILE . 87.0 mtt-85 -68.14 93.92 0.47 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.187 -163.638 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 121' ' ' LYS . . . . . 0.4 ' HB2' ' O ' ' A' ' 113' ' ' PHE . 97.3 mttt -68.04 76.53 0.23 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.163 -0.472 . . . . 0.0 111.188 -179.603 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 122' ' ' TYR . . . . . 0.414 ' HA ' ' O ' ' A' ' 111' ' ' HIS . 40.5 m-85 -59.58 106.86 0.51 Allowed 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.233 174.488 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 123' ' ' ARG . . . . . . . . . . . . . 14.8 tpt180 -78.6 113.66 16.83 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.176 -167.953 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 124' ' ' ILE . . . . . . . . . . . . . 84.9 mt -71.3 121.05 83.16 Favored Pre-proline 0 C--N 1.327 -0.379 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.178 -175.2 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 125' ' ' PRO . . . . . . . . . . . . . 78.1 Cg_exo -50.96 143.44 30.79 Favored 'Trans proline' 0 C--N 1.327 -0.554 0 C-N-CA 121.772 1.648 . . . . 0.0 111.178 174.227 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 126' ' ' ALA . . . . . . . . . . . . . . . -62.6 -13.68 34.17 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.102 -176.034 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 127' ' ' ASP . . . . . . . . . . . . . 83.3 m-20 -99.3 13.92 31.41 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.216 -177.39 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 128' ' ' VAL . . . . . . . . . . . . . 82.6 t -121.57 133.8 66.9 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.174 -179.293 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 129' ' ' ASP . . . . . . . . . . . . . 64.0 t0 -83.94 119.33 73.3 Favored Pre-proline 0 C--N 1.328 -0.352 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.161 178.541 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 130' ' ' PRO . . . . . . . . . . . . . 47.3 Cg_endo -70.52 -14.37 33.61 Favored 'Trans proline' 0 N--CA 1.458 -0.598 0 C-N-CA 121.707 1.605 . . . . 0.0 111.27 -174.751 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 131' ' ' LEU . . . . . . . . . . . . . 95.7 mt -88.53 -1.23 57.94 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.258 -178.83 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 132' ' ' THR . . . . . . . . . . . . . 74.7 p -110.55 4.12 20.07 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.175 -178.796 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 133' ' ' ILE . . . . . . . . . . . . . 88.3 mt -95.17 121.89 46.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.223 -173.681 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 134' ' ' THR . . . . . . . . . . . . . 55.9 p -107.77 172.77 6.64 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.215 176.734 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 135' ' ' SER . . . . . . . . . . . . . 34.7 t -150.03 140.29 22.22 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.231 -177.797 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 136' ' ' SER . . . . . . . . . . . . . 89.0 p -148.53 156.24 42.18 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.277 -0.42 . . . . 0.0 111.202 179.173 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 137' ' ' LEU . . . . . . . . . . . . . 66.1 tp -134.22 119.46 18.81 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.257 -177.352 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 138' ' ' SER . . . . . . . . . . . . . 60.2 p -78.8 167.29 21.4 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.314 -0.403 . . . . 0.0 111.214 -178.88 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 139' ' ' SER . . . . . . . . . . . . . 86.6 p -70.16 -17.61 63.18 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.24 176.545 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 140' ' ' ASP . . . . . . . . . . . . . 93.4 m-20 -82.92 -10.12 58.97 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.174 177.046 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 141' ' ' GLY . . . . . . . . . . . . . . . 94.55 19.06 33.38 Favored Glycine 0 CA--C 1.522 0.479 0 N-CA-C 111.252 -0.739 . . . . 0.0 111.252 177.277 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 142' ' ' VAL . . . . . . . . . . . . . 67.9 t -84.48 101.68 9.37 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.23 0 CA-C-O 120.69 0.281 . . . . 0.0 111.172 178.328 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 143' ' ' LEU . . . . . . . . . . . . . 60.1 tp -92.3 117.72 30.17 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.23 -179.348 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 144' ' ' THR . . . . . . . . . . . . . 98.7 m -121.66 126.89 50.07 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.267 -175.058 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 145' ' ' VAL . . . . . 0.443 ' H ' HG11 ' B' ' 77' ' ' VAL . 48.6 t -128.24 121.57 56.01 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 116.335 -0.393 . . . . 0.0 111.235 177.358 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 146' ' ' ASP . . . . . . . . . . . . . 61.8 t0 -153.0 123.37 7.15 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.297 -0.41 . . . . 0.0 111.279 -162.703 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 147' ' ' GLY . . . . . . . . . . . . . . . -139.82 131.22 5.04 Favored Glycine 0 CA--C 1.524 0.631 0 N-CA-C 111.189 -0.765 . . . . 0.0 111.189 174.982 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 148' ' ' PRO . . . . . . . . . . . . . 74.9 Cg_exo -54.23 146.35 50.38 Favored 'Trans proline' 0 N--CA 1.457 -0.627 0 C-N-CA 121.622 1.548 . . . . 0.0 111.172 177.614 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 149' ' ' ARG . . . . . . . . . . . . . 81.9 mtp180 . . . . . 0 C--N 1.328 -0.35 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.232 -179.571 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.522 0.489 0 N-CA-C 111.231 -0.747 . . . . 0.0 111.231 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 99.4 mt -102.92 15.19 30.09 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.79 0.329 . . . . 0.0 111.244 179.348 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 79.3 p -141.58 27.22 1.88 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.267 175.99 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 89.2 tt0 -104.74 133.63 49.25 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.22 -168.959 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 68' ' ' MET . . . . . . . . . . . . . 64.9 ttp -102.36 132.72 48.17 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.162 166.934 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 55.3 ttp180 -158.54 128.41 5.86 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.067 -0.515 . . . . 0.0 111.212 178.447 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 65.6 tp -77.68 109.49 11.71 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.322 -0.399 . . . . 0.0 111.136 166.293 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 71' ' ' GLU . . . . . 0.482 ' O ' ' C ' ' A' ' 72' ' ' LYS . 79.5 mm-40 -68.99 -179.25 1.43 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.101 -0.5 . . . . 0.0 111.235 179.075 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 72' ' ' LYS . . . . . 0.482 ' C ' ' O ' ' A' ' 71' ' ' GLU . 87.9 tttt -29.53 -59.97 0.15 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.123 177.588 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 57.6 p-10 -146.45 46.41 1.21 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.2 176.331 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 79.2 ttt180 -160.49 127.7 4.36 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.227 -175.732 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 75' ' ' PHE . . . . . . . . . . . . . 37.7 t80 -96.46 117.98 32.02 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.154 -177.937 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 90.1 p -132.81 147.92 52.31 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.217 -177.708 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 77' ' ' VAL . . . . . 0.492 ' O ' ' HA ' ' A' ' 144' ' ' THR . 87.9 t -139.95 136.36 38.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.162 179.256 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 93.6 m-20 -105.56 147.09 28.78 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.207 166.053 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 73.7 mt -143.14 146.27 33.58 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.206 -173.231 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 58.8 t0 -82.02 113.26 19.78 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.247 -178.811 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 81' ' ' VAL . . . . . 0.48 ' O ' ' CG1' ' A' ' 81' ' ' VAL . 62.0 t -134.39 45.65 0.48 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.102 170.535 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 98.5 mttt -78.17 -28.93 48.37 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.158 -165.8 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 41.8 m80 -121.34 3.69 10.29 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.288 -0.415 . . . . 0.0 111.167 -162.654 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 84' ' ' PHE . . . . . 0.404 ' CD1' ' HB2' ' A' ' 104' ' ' HIS . 40.8 p90 -146.31 -179.18 6.56 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.202 177.342 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 69.4 m -128.76 166.92 21.45 Favored Pre-proline 0 C--N 1.328 -0.344 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.212 -154.336 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 87.0 Cg_exo -51.96 -30.24 38.76 Favored 'Trans proline' 0 N--CA 1.457 -0.664 0 C-N-CA 121.665 1.577 . . . . 0.0 111.268 177.807 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 99.8 mt-10 -65.91 -34.9 79.18 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.181 -176.952 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 93.7 mt-10 -103.49 -5.79 22.45 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.16 177.675 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 46.5 tp -94.21 96.74 9.79 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.123 178.835 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 98.8 mttt -95.63 74.57 3.21 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.18 -173.1 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 97.3 t -61.19 102.68 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.128 174.729 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 99.1 mttt -118.83 150.85 39.13 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.223 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 35.2 m -129.12 152.62 37.47 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.207 171.372 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 94' ' ' LEU . . . . . 0.406 ' HB2' ' HB ' ' A' ' 97' ' ' VAL . 75.5 mt -133.28 74.35 1.56 Allowed 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.233 179.175 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 81.16 -104.64 2.37 Favored Glycine 0 CA--C 1.523 0.593 0 N-CA-C 111.183 -0.767 . . . . 0.0 111.183 179.925 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 48.5 p-10 -97.57 29.86 3.14 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 120.84 0.352 . . . . 0.0 111.163 171.041 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 97' ' ' VAL . . . . . 0.406 ' HB ' ' HB2' ' A' ' 94' ' ' LEU . 99.7 t -124.32 139.85 49.41 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.379 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.253 -177.153 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 98' ' ' ILE . . . . . . . . . . . . . 63.8 mt -118.57 92.74 2.23 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.385 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.13 175.924 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 84.5 tt0 -97.64 87.83 4.18 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.191 179.555 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 100' ' ' VAL . . . . . 0.438 ' HB ' ' HB2' ' A' ' 120' ' ' ARG . 58.7 t -77.98 73.18 0.55 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.188 176.193 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 101' ' ' HIS . . . . . 0.626 ' ND1' ' O ' ' A' ' 101' ' ' HIS . 15.7 t-80 -60.78 75.66 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.128 175.313 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 102' ' ' GLY . . . . . 0.42 ' N ' ' O ' ' A' ' 100' ' ' VAL . . . -66.87 170.25 33.25 Favored Glycine 0 CA--C 1.524 0.638 0 N-CA-C 111.185 -0.766 . . . . 0.0 111.185 172.324 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 37.9 ttpt -168.91 124.48 0.91 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.752 0.311 . . . . 0.0 111.177 174.596 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 104' ' ' HIS . . . . . 0.763 ' HD1' HH11 ' A' ' 107' ' ' ARG . 23.3 t-160 -111.21 108.47 18.13 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.3 163.053 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 91.2 mt-10 -93.53 166.73 12.11 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.164 174.858 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 95.1 mt-10 49.58 60.27 3.91 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.217 -179.646 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 107' ' ' ARG . . . . . 0.763 HH11 ' HD1' ' A' ' 104' ' ' HIS . 55.7 ttt85 -109.84 90.77 3.41 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.305 -0.407 . . . . 0.0 111.189 -173.028 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 108' ' ' GLN . . . . . . . . . . . . . 90.2 mt-30 -60.37 137.3 58.16 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.142 175.927 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 56.1 p30 -154.61 -147.75 0.22 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.246 177.193 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 58.9 mp0 -66.98 -18.69 65.5 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.235 -0.438 . . . . 0.0 111.195 -174.548 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 111' ' ' HIS . . . . . . . . . . . . . 23.5 p-80 -135.14 94.73 3.17 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.119 174.87 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 41.03 -139.37 1.48 Allowed Glycine 0 CA--C 1.524 0.612 0 N-CA-C 111.212 -0.755 . . . . 0.0 111.212 179.954 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 113' ' ' PHE . . . . . . . . . . . . . 66.7 m-85 -86.35 150.15 24.54 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.826 0.346 . . . . 0.0 111.294 -178.444 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 114' ' ' ILE . . . . . . . . . . . . . 34.2 pt -134.35 -161.56 0.28 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.15 161.156 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 115' ' ' SER . . . . . 0.574 ' HB3' ' HD1' ' B' ' 119' ' ' HIS . 37.7 t -158.63 143.81 16.32 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.256 168.389 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 116' ' ' ARG . . . . . . . . . . . . . 69.5 mtm180 -111.41 84.34 1.93 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.087 175.986 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 87.2 tt0 -95.59 117.29 30.17 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.081 -0.509 . . . . 0.0 111.157 179.866 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 118' ' ' PHE . . . . . 0.427 ' HA ' ' O ' ' B' ' 115' ' ' SER . 77.4 m-85 -102.81 157.92 16.62 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.077 -165.813 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 119' ' ' HIS . . . . . 0.597 ' HD1' ' HB3' ' B' ' 115' ' ' SER . 79.5 m80 -130.8 66.03 1.53 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.201 164.559 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 120' ' ' ARG . . . . . 0.438 ' HB2' ' HB ' ' A' ' 100' ' ' VAL . 89.2 mtt180 -76.57 73.2 3.28 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.229 -162.592 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 121' ' ' LYS . . . . . . . . . . . . . 39.8 ttmt -93.88 96.6 9.83 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.262 -171.329 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 122' ' ' TYR . . . . . . . . . . . . . 41.1 p90 -121.83 145.1 48.4 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.052 -0.522 . . . . 0.0 111.154 173.543 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 123' ' ' ARG . . . . . . . . . . . . . 9.9 mpt_? -94.11 159.51 15.12 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.264 -0.425 . . . . 0.0 111.175 -164.684 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 124' ' ' ILE . . . . . . . . . . . . . 68.1 mt -89.21 127.17 56.29 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.089 177.383 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 125' ' ' PRO . . . . . . . . . . . . . 81.8 Cg_exo -48.87 140.14 23.92 Favored 'Trans proline' 0 C--N 1.328 -0.539 0 C-N-CA 121.734 1.623 . . . . 0.0 111.192 174.024 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . -60.38 -16.43 35.41 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.142 -176.191 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 127' ' ' ASP . . . . . . . . . . . . . 78.0 m-20 -101.55 16.57 25.28 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.264 -0.425 . . . . 0.0 111.231 -177.736 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 128' ' ' VAL . . . . . . . . . . . . . 92.8 t -127.61 133.47 67.62 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.251 -179.569 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 64.8 t0 -85.47 118.43 70.69 Favored Pre-proline 0 C--N 1.328 -0.327 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.196 -176.186 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 130' ' ' PRO . . . . . . . . . . . . . 82.7 Cg_exo -52.62 -33.66 59.84 Favored 'Trans proline' 0 N--CA 1.458 -0.574 0 C-N-CA 121.676 1.584 . . . . 0.0 111.19 179.903 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 131' ' ' LEU . . . . . . . . . . . . . 95.8 mt -72.95 -22.27 60.74 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.197 -173.24 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 132' ' ' THR . . . . . . . . . . . . . 81.4 p -90.7 -4.05 57.03 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.147 -178.395 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 133' ' ' ILE . . . . . . . . . . . . . 99.3 mt -88.72 121.48 38.97 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.314 -0.403 . . . . 0.0 111.221 179.488 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 134' ' ' THR . . . . . . . . . . . . . 92.8 m -127.07 134.93 50.18 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.181 -178.805 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 135' ' ' SER . . . . . . . . . . . . . 79.5 p -89.57 159.13 17.35 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.305 -0.407 . . . . 0.0 111.274 178.343 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 136' ' ' SER . . . . . . . . . . . . . 43.4 t -159.47 122.39 3.58 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.224 179.345 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 137' ' ' LEU . . . . . . . . . . . . . 69.1 tp -102.25 120.61 40.76 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.216 -176.099 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 138' ' ' SER . . . . . 0.465 ' HG ' ' H ' ' A' ' 142' ' ' VAL . 74.8 p -81.56 167.01 19.74 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.176 -177.227 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 139' ' ' SER . . . . . . . . . . . . . 86.1 p -69.6 -18.97 63.66 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.174 176.847 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 140' ' ' ASP . . . . . . . . . . . . . 91.5 m-20 -83.5 -7.16 59.59 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.168 176.602 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 141' ' ' GLY . . . . . . . . . . . . . . . 82.94 45.25 6.77 Favored Glycine 0 CA--C 1.524 0.633 0 N-CA-C 111.155 -0.778 . . . . 0.0 111.155 179.407 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 142' ' ' VAL . . . . . 0.465 ' H ' ' HG ' ' A' ' 138' ' ' SER . 67.6 t -118.83 113.98 43.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-O 120.729 0.3 . . . . 0.0 111.261 171.767 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 143' ' ' LEU . . . . . . . . . . . . . 38.1 tp -89.79 117.41 28.61 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.191 179.519 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 144' ' ' THR . . . . . 0.492 ' HA ' ' O ' ' A' ' 77' ' ' VAL . 99.9 m -107.74 109.51 21.1 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.217 -175.929 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 145' ' ' VAL . . . . . . . . . . . . . 62.6 t -106.63 109.54 28.41 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.389 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.246 -179.993 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 146' ' ' ASP . . . . . 0.484 ' C ' ' OD1' ' A' ' 146' ' ' ASP . 23.6 t0 -148.01 119.17 7.75 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.079 -161.54 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 147' ' ' GLY . . . . . . . . . . . . . . . -137.12 133.06 6.26 Favored Glycine 0 CA--C 1.525 0.71 0 N-CA-C 111.069 -0.812 . . . . 0.0 111.069 171.067 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 148' ' ' PRO . . . . . . . . . . . . . 50.1 Cg_exo -60.05 162.63 16.04 Favored 'Trans proline' 0 N--CA 1.458 -0.6 0 C-N-CA 121.657 1.572 . . . . 0.0 111.275 178.369 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 149' ' ' ARG . . . . . . . . . . . . . 95.8 mtt180 -58.26 168.78 0.97 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.282 -0.417 . . . . 0.0 111.215 179.194 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 150' ' ' LYS . . . . . . . . . . . . . 95.2 mttt -63.99 -27.2 68.96 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.094 167.422 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 151' ' ' GLN . . . . . . . . . . . . . 98.2 mt-30 -63.99 -37.23 86.66 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.187 178.774 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 152' ' ' VAL . . . . . . . . . . . . . 93.6 t . . . . . 0 C--O 1.22 -0.455 0 CA-C-O 118.003 -0.999 . . . . 0.0 111.149 179.973 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' B' B ' 64' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.522 0.498 0 N-CA-C 111.251 -0.74 . . . . 0.0 111.251 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' B' B ' 65' ' ' LEU . . . . . . . . . . . . . 99.3 mt -102.95 15.13 30.24 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.866 0.365 . . . . 0.0 111.273 179.355 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 66' ' ' SER . . . . . . . . . . . . . 79.1 p -141.61 27.25 1.88 Allowed 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.174 176.042 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 67' ' ' GLU . . . . . . . . . . . . . 89.2 tt0 -104.81 133.58 49.4 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.251 -168.942 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 68' ' ' MET . . . . . . . . . . . . . 65.0 ttp -102.25 132.63 48.07 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.291 166.91 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 69' ' ' ARG . . . . . . . . . . . . . 55.4 ttp180 -158.55 128.36 5.83 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.282 178.438 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 70' ' ' LEU . . . . . . . . . . . . . 65.6 tp -77.58 109.49 11.59 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.33 -0.395 . . . . 0.0 111.169 166.374 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 71' ' ' GLU . . . . . 0.476 ' O ' ' C ' ' B' ' 72' ' ' LYS . 79.3 mm-40 -69.06 -179.37 1.5 Allowed 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.214 179.097 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 72' ' ' LYS . . . . . 0.476 ' C ' ' O ' ' B' ' 71' ' ' GLU . 88.0 tttt -29.29 -60.02 0.14 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.17 177.561 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 73' ' ' ASP . . . . . . . . . . . . . 57.6 p-10 -146.53 46.49 1.21 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.114 176.354 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 74' ' ' ARG . . . . . . . . . . . . . 79.3 ttt180 -160.56 127.72 4.32 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.175 -175.767 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 75' ' ' PHE . . . . . . . . . . . . . 37.6 t80 -96.43 117.9 31.84 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.257 -178.049 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 76' ' ' SER . . . . . . . . . . . . . 89.8 p -132.73 147.89 52.33 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.121 -177.623 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 77' ' ' VAL . . . . . 0.48 ' O ' ' HA ' ' B' ' 144' ' ' THR . 87.3 t -139.85 136.29 38.82 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.217 179.207 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 78' ' ' ASN . . . . . . . . . . . . . 93.6 m-20 -105.61 147.04 28.89 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.279 -0.418 . . . . 0.0 111.262 166.011 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 79' ' ' LEU . . . . . . . . . . . . . 74.0 mt -143.07 146.36 33.73 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.208 -173.132 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 80' ' ' ASP . . . . . . . . . . . . . 58.9 t0 -82.13 113.21 19.83 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.154 -178.746 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 81' ' ' VAL . . . . . 0.484 ' CG1' ' O ' ' B' ' 81' ' ' VAL . 62.0 t -134.34 45.69 0.48 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.132 170.447 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 82' ' ' LYS . . . . . . . . . . . . . 98.5 mttt -78.14 -28.92 48.51 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.182 -165.778 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 83' ' ' HIS . . . . . . . . . . . . . 41.8 m80 -121.37 3.63 10.27 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.163 -162.601 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 84' ' ' PHE . . . . . 0.412 ' CD1' ' HB2' ' B' ' 104' ' ' HIS . 40.8 p90 -146.23 -179.11 6.51 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.192 177.354 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 85' ' ' SER . . . . . . . . . . . . . 69.4 m -128.88 166.75 22.79 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.224 -154.272 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 86' ' ' PRO . . . . . . . . . . . . . 86.5 Cg_exo -51.75 -30.42 37.56 Favored 'Trans proline' 0 N--CA 1.457 -0.621 0 C-N-CA 121.722 1.614 . . . . 0.0 111.267 177.765 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 87' ' ' GLU . . . . . . . . . . . . . 99.8 mt-10 -65.7 -35.06 79.66 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.092 -0.504 . . . . 0.0 111.186 -176.892 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 88' ' ' GLU . . . . . . . . . . . . . 93.8 mt-10 -103.49 -5.81 22.43 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.13 -0.487 . . . . 0.0 111.122 177.805 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 89' ' ' LEU . . . . . . . . . . . . . 46.6 tp -94.16 96.73 9.8 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.175 178.765 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 90' ' ' LYS . . . . . . . . . . . . . 98.8 mttt -95.61 74.6 3.22 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.128 -173.053 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 91' ' ' VAL . . . . . . . . . . . . . 97.6 t -61.27 102.68 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.302 -0.408 . . . . 0.0 111.147 174.758 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 92' ' ' LYS . . . . . . . . . . . . . 99.1 mttt -118.78 150.8 39.19 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.215 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 93' ' ' VAL . . . . . . . . . . . . . 34.9 m -129.02 152.65 37.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.192 171.295 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 94' ' ' LEU . . . . . 0.403 ' HB2' ' HB ' ' B' ' 97' ' ' VAL . 75.5 mt -133.31 74.5 1.57 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.073 -0.512 . . . . 0.0 111.207 179.134 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 95' ' ' GLY . . . . . . . . . . . . . . . 81.04 -104.54 2.35 Favored Glycine 0 CA--C 1.524 0.645 0 N-CA-C 111.219 -0.752 . . . . 0.0 111.219 179.927 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 96' ' ' ASP . . . . . . . . . . . . . 48.4 p-10 -97.64 29.97 3.12 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.704 0.288 . . . . 0.0 111.099 171.026 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 97' ' ' VAL . . . . . 0.403 ' HB ' ' HB2' ' B' ' 94' ' ' LEU . 97.3 t -124.46 139.9 49.34 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.366 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.179 -177.215 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 98' ' ' ILE . . . . . . . . . . . . . 64.0 mt -118.6 92.76 2.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.134 175.926 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 99' ' ' GLU . . . . . . . . . . . . . 84.5 tt0 -97.59 87.81 4.18 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.168 179.627 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 100' ' ' VAL . . . . . 0.438 ' O ' ' N ' ' B' ' 102' ' ' GLY . 58.7 t -78.04 73.14 0.55 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.381 0 CA-C-N 116.286 -0.415 . . . . 0.0 111.169 176.228 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 101' ' ' HIS . . . . . 0.64 ' O ' ' ND1' ' B' ' 101' ' ' HIS . 15.5 t-80 -60.67 75.53 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.183 175.231 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 102' ' ' GLY . . . . . 0.438 ' N ' ' O ' ' B' ' 100' ' ' VAL . . . -66.7 170.3 32.46 Favored Glycine 0 CA--C 1.523 0.592 0 N-CA-C 111.226 -0.749 . . . . 0.0 111.226 172.305 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 103' ' ' LYS . . . . . . . . . . . . . 37.9 ttpt -169.01 124.42 0.89 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.763 0.316 . . . . 0.0 111.151 174.548 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 104' ' ' HIS . . . . . 0.767 ' HD1' HH11 ' B' ' 107' ' ' ARG . 23.3 t-160 -111.09 108.34 18.02 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.273 163.094 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 105' ' ' GLU . . . . . . . . . . . . . 91.2 mt-10 -93.53 166.75 12.1 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.272 174.722 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 106' ' ' GLU . . . . . . . . . . . . . 95.0 mt-10 49.62 60.22 3.94 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.229 -179.654 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 107' ' ' ARG . . . . . 0.767 HH11 ' HD1' ' B' ' 104' ' ' HIS . 55.8 ttt85 -109.89 90.86 3.43 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.131 -173.001 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 108' ' ' GLN . . . . . . . . . . . . . 90.2 mt-30 -60.45 137.3 58.17 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.153 175.962 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 109' ' ' ASP . . . . . . . . . . . . . 56.3 p30 -154.5 -147.61 0.22 Allowed 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.174 177.249 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 110' ' ' GLU . . . . . . . . . . . . . 58.9 mp0 -67.16 -18.66 65.37 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.151 -174.544 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 111' ' ' HIS . . . . . . . . . . . . . 23.6 p-80 -135.14 94.58 3.15 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.091 174.916 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 112' ' ' GLY . . . . . . . . . . . . . . . 41.11 -139.38 1.54 Allowed Glycine 0 CA--C 1.523 0.535 0 N-CA-C 111.164 -0.774 . . . . 0.0 111.164 179.892 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 113' ' ' PHE . . . . . . . . . . . . . 66.8 m-85 -86.27 150.22 24.51 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 120.799 0.333 . . . . 0.0 111.294 -178.481 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 114' ' ' ILE . . . . . . . . . . . . . 34.0 pt -134.37 -161.61 0.28 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.169 161.149 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 115' ' ' SER . . . . . 0.597 ' HB3' ' HD1' ' A' ' 119' ' ' HIS . 37.6 t -158.61 143.75 16.3 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.267 168.336 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 116' ' ' ARG . . . . . . . . . . . . . 69.4 mtm180 -111.34 84.29 1.92 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.171 175.957 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 117' ' ' GLU . . . . . . . . . . . . . 87.3 tt0 -95.44 117.08 29.72 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.079 -0.51 . . . . 0.0 111.278 179.835 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 118' ' ' PHE . . . . . 0.438 ' HA ' ' O ' ' A' ' 115' ' ' SER . 77.4 m-85 -102.68 157.92 16.6 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.284 -0.416 . . . . 0.0 111.144 -165.827 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 119' ' ' HIS . . . . . 0.574 ' HD1' ' HB3' ' A' ' 115' ' ' SER . 79.5 m80 -130.87 66.1 1.54 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.136 164.641 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 120' ' ' ARG . . . . . 0.434 ' HB2' ' HB ' ' B' ' 100' ' ' VAL . 89.2 mtt180 -76.6 73.12 3.3 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.253 -162.598 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 121' ' ' LYS . . . . . . . . . . . . . 39.8 ttmt -93.85 96.61 9.85 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.099 -171.205 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 122' ' ' TYR . . . . . . . . . . . . . 41.5 p90 -121.76 145.11 48.36 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.195 173.35 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 123' ' ' ARG . . . . . . . . . . . . . 9.9 mpt_? -94.08 159.58 15.09 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.179 -164.733 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 124' ' ' ILE . . . . . . . . . . . . . 67.7 mt -89.24 127.1 56.49 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.178 177.382 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 125' ' ' PRO . . . . . . . . . . . . . 81.2 Cg_exo -48.86 140.18 23.81 Favored 'Trans proline' 0 N--CA 1.459 -0.542 0 C-N-CA 121.686 1.59 . . . . 0.0 111.227 174.097 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 126' ' ' ALA . . . . . . . . . . . . . . . -60.35 -16.35 34.35 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.259 -176.261 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 127' ' ' ASP . . . . . . . . . . . . . 77.9 m-20 -101.63 16.61 25.21 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.196 -177.736 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 128' ' ' VAL . . . . . . . . . . . . . 93.0 t -127.54 133.34 67.97 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.197 -179.48 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 129' ' ' ASP . . . . . . . . . . . . . 64.8 t0 -85.43 118.47 70.78 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.273 -176.361 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 130' ' ' PRO . . . . . . . . . . . . . 80.4 Cg_exo -52.56 -33.75 59.57 Favored 'Trans proline' 0 N--CA 1.458 -0.615 0 C-N-CA 121.638 1.559 . . . . 0.0 111.256 179.879 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 131' ' ' LEU . . . . . . . . . . . . . 95.7 mt -72.91 -22.21 60.78 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.228 -173.229 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 132' ' ' THR . . . . . . . . . . . . . 81.4 p -90.89 -3.85 57.02 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.225 -178.482 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 133' ' ' ILE . . . . . . . . . . . . . 99.6 mt -88.8 121.46 39.0 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.224 -0.443 . . . . 0.0 111.196 179.454 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 134' ' ' THR . . . . . . . . . . . . . 92.4 m -127.09 134.89 50.17 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.195 -178.804 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 135' ' ' SER . . . . . . . . . . . . . 79.1 p -89.63 159.13 17.3 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.233 178.392 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 136' ' ' SER . . . . . . . . . . . . . 43.4 t -159.45 122.46 3.6 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.2 179.371 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 137' ' ' LEU . . . . . . . . . . . . . 69.1 tp -102.31 120.5 40.59 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.232 -176.112 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 138' ' ' SER . . . . . . . . . . . . . 74.4 p -81.34 167.08 19.88 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.202 -177.279 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 139' ' ' SER . . . . . . . . . . . . . 86.3 p -69.84 -18.74 63.46 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.182 176.798 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 140' ' ' ASP . . . . . . . . . . . . . 91.5 m-20 -83.64 -7.06 59.58 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.181 176.476 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 141' ' ' GLY . . . . . . . . . . . . . . . 82.95 45.21 6.77 Favored Glycine 0 CA--C 1.524 0.628 0 N-CA-C 111.227 -0.749 . . . . 0.0 111.227 179.357 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 142' ' ' VAL . . . . . . . . . . . . . 67.9 t -118.84 113.87 42.99 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-O 120.778 0.323 . . . . 0.0 111.265 171.862 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 143' ' ' LEU . . . . . . . . . . . . . 38.0 tp -89.7 117.34 28.5 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.221 179.54 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 144' ' ' THR . . . . . 0.48 ' HA ' ' O ' ' B' ' 77' ' ' VAL . 99.0 m -107.73 109.38 20.95 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.238 -175.842 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 145' ' ' VAL . . . . . . . . . . . . . 61.6 t -106.59 109.47 28.16 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.396 0 CA-C-N 116.326 -0.397 . . . . 0.0 111.261 -179.93 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 146' ' ' ASP . . . . . 0.492 ' C ' ' OD1' ' B' ' 146' ' ' ASP . 23.6 t0 -147.98 119.05 7.69 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.203 -161.569 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 147' ' ' GLY . . . . . . . . . . . . . . . -136.99 133.01 6.25 Favored Glycine 0 CA--C 1.523 0.537 0 N-CA-C 111.19 -0.764 . . . . 0.0 111.19 171.131 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 148' ' ' PRO . . . . . . . . . . . . . 50.4 Cg_exo -60.04 162.62 16.03 Favored 'Trans proline' 0 N--CA 1.459 -0.52 0 C-N-CA 121.713 1.609 . . . . 0.0 111.249 178.404 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 149' ' ' ARG . . . . . . . . . . . . . 95.8 mtt180 -58.22 168.72 0.98 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.213 179.157 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 150' ' ' LYS . . . . . . . . . . . . . 95.4 mttt -63.95 -27.1 68.9 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.149 167.373 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 151' ' ' GLN . . . . . . . . . . . . . 98.2 mt-30 -64.02 -37.24 86.71 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.214 178.738 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 152' ' ' VAL . . . . . . . . . . . . . 94.5 t . . . . . 0 C--O 1.22 -0.456 0 CA-C-O 117.725 -1.131 . . . . 0.0 111.191 179.957 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.523 0.572 0 N-CA-C 111.22 -0.752 . . . . 0.0 111.22 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 82.9 mt -107.56 160.84 15.37 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.845 0.355 . . . . 0.0 111.171 -179.914 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 47.8 t -98.58 109.05 21.87 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.156 -172.959 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 87.5 tt0 -57.18 140.21 50.28 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.128 175.027 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 68' ' ' MET . . . . . . . . . . . . . 59.2 ttm -37.57 119.52 0.73 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.178 178.4 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 78.9 ttt180 -118.74 117.7 29.62 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.22 -178.101 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 9.5 mp -81.31 113.26 19.3 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.257 -179.64 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 71' ' ' GLU . . . . . 0.635 ' O ' ' C ' ' A' ' 72' ' ' LYS . 81.4 mm-40 -85.32 178.48 7.46 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.163 170.089 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 72' ' ' LYS . . . . . 0.635 ' C ' ' O ' ' A' ' 71' ' ' GLU . 88.1 tttt -13.4 -70.44 0.01 OUTLIER 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.212 -177.019 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 57.4 p-10 -143.05 44.42 1.56 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.099 -0.5 . . . . 0.0 111.256 178.33 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 79.6 ttt180 -170.82 135.76 1.11 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.058 -0.519 . . . . 0.0 111.162 -175.917 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 75' ' ' PHE . . . . . . . . . . . . . 39.2 p90 -112.52 159.04 19.19 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.15 -176.823 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 97.5 p -144.27 158.48 43.71 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.06 -0.518 . . . . 0.0 111.234 177.685 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 76.2 t -133.86 144.74 34.81 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.373 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.276 -176.882 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 40.4 t-20 -125.84 103.98 8.08 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.165 176.581 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 81.1 mt -116.02 152.62 33.19 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.141 176.823 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 60.1 t0 -101.93 113.72 27.18 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.184 -178.781 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 20.9 m -132.42 46.24 0.51 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.225 177.379 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 83.8 tttt -79.35 137.92 37.49 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.163 -0.472 . . . . 0.0 111.16 178.699 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 66.7 m-70 72.21 34.26 1.42 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.069 -0.514 . . . . 0.0 111.177 -175.991 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 84' ' ' PHE . . . . . . . . . . . . . 66.1 m-85 -122.84 145.64 48.26 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.27 172.783 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 85' ' ' SER . . . . . 0.426 ' O ' ' N ' ' A' ' 89' ' ' LEU . 74.4 m -109.9 151.0 42.14 Favored Pre-proline 0 C--N 1.327 -0.391 0 CA-C-N 116.288 -0.414 . . . . 0.0 111.252 178.087 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 71.7 Cg_exo -55.39 -26.13 51.66 Favored 'Trans proline' 0 N--CA 1.457 -0.641 0 C-N-CA 121.715 1.61 . . . . 0.0 111.294 179.137 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 99.8 mt-10 -66.72 -26.67 67.11 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.284 -179.766 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 80.6 mm-40 -121.78 -7.49 9.02 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.084 -0.507 . . . . 0.0 111.146 -178.95 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 89' ' ' LEU . . . . . 0.426 ' N ' ' O ' ' A' ' 85' ' ' SER . 64.0 tp -108.06 116.96 32.92 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.15 -175.828 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 98.9 mttt -122.54 146.0 47.81 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.226 -175.11 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 64.2 t -124.86 110.48 25.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.214 172.386 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 87.1 tttt -125.79 147.24 49.47 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.169 -171.517 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 61.9 t -111.79 116.35 52.33 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.421 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.131 166.097 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 94' ' ' LEU . . . . . 0.429 ' O ' ' HG ' ' A' ' 94' ' ' LEU . 68.9 tp -105.94 68.64 0.78 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.123 -0.489 . . . . 0.0 111.234 -172.41 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 79.41 -104.91 2.2 Favored Glycine 0 CA--C 1.523 0.591 0 N-CA-C 111.086 -0.805 . . . . 0.0 111.086 173.125 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 89.4 m-20 -88.21 -5.96 58.1 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 120.831 0.348 . . . . 0.0 111.261 -178.315 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . 28.9 m -123.11 164.85 20.05 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.171 178.824 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 98' ' ' ILE . . . . . . . . . . . . . 91.4 mt -113.78 96.31 4.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.176 175.485 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 86.5 tt0 -83.47 90.15 7.17 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.222 -172.494 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 100' ' ' VAL . . . . . . . . . . . . . 91.8 t -89.05 120.32 37.55 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.228 171.013 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 101' ' ' HIS . . . . . 0.556 ' H ' ' CD2' ' A' ' 101' ' ' HIS . 0.1 OUTLIER -143.62 130.63 20.58 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.17 -165.521 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . -134.25 -173.07 13.03 Favored Glycine 0 CA--C 1.524 0.647 0 N-CA-C 111.164 -0.774 . . . . 0.0 111.164 -171.485 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 87.5 tttt -170.58 120.18 0.57 Allowed 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 120.848 0.356 . . . . 0.0 111.219 172.087 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 104' ' ' HIS . . . . . 0.747 ' HD1' HH11 ' A' ' 107' ' ' ARG . 23.8 t-160 -119.66 111.49 18.11 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.358 -0.383 . . . . 0.0 111.16 170.851 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 99.8 mt-10 -81.18 -59.06 2.79 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.195 -166.443 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 106' ' ' GLU . . . . . 0.414 ' HA ' ' CD1' ' A' ' 113' ' ' PHE . 98.1 mt-10 -90.12 86.79 6.65 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.185 176.998 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 107' ' ' ARG . . . . . 0.747 HH11 ' HD1' ' A' ' 104' ' ' HIS . 59.7 ttt85 -122.7 85.32 2.4 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.133 -174.4 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 108' ' ' GLN . . . . . . . . . . . . . 68.6 tp60 -44.58 123.31 3.55 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.181 177.632 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 9.6 t0 -133.81 -157.87 0.84 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.2 -177.595 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 92.4 mt-10 -67.71 -31.74 71.89 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.18 177.705 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 111' ' ' HIS . . . . . . . . . . . . . 68.7 m80 -119.93 87.29 2.72 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.076 179.398 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 66.08 -133.47 33.99 Favored Glycine 0 CA--C 1.525 0.66 0 N-CA-C 111.143 -0.783 . . . . 0.0 111.143 -176.273 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 113' ' ' PHE . . . . . 0.414 ' CD1' ' HA ' ' A' ' 106' ' ' GLU . 22.9 p90 -118.96 148.62 42.76 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.71 0.291 . . . . 0.0 111.355 166.96 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 114' ' ' ILE . . . . . 0.418 ' HA ' ' O ' ' B' ' 119' ' ' HIS . 45.6 pt -110.87 152.23 12.88 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.37 0 CA-C-N 116.311 -0.404 . . . . 0.0 111.175 -176.233 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 41.0 t -123.03 95.29 4.56 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.235 -0.438 . . . . 0.0 111.194 175.239 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 116' ' ' ARG . . . . . . . . . . . . . 97.0 mtt180 -107.47 117.78 34.98 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.222 -171.843 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 88.9 tt0 -98.62 120.97 39.95 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.22 172.266 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 118' ' ' PHE . . . . . . . . . . . . . 91.9 m-85 -104.39 143.11 33.44 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.218 -166.029 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 119' ' ' HIS . . . . . 0.415 ' O ' ' HA ' ' B' ' 114' ' ' ILE . 49.0 m80 -133.85 156.39 48.16 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.304 -0.407 . . . . 0.0 111.252 155.599 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 120' ' ' ARG . . . . . 0.538 ' CG ' ' O ' ' A' ' 120' ' ' ARG . 13.3 ptp180 -155.64 104.39 2.35 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.172 168.225 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 121' ' ' LYS . . . . . . . . . . . . . 93.6 mttt -90.47 89.53 7.61 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.225 -179.377 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 122' ' ' TYR . . . . . . . . . . . . . 80.1 t80 -88.57 122.97 32.6 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.226 -174.775 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 123' ' ' ARG . . . . . . . . . . . . . 1.5 mpp_? -73.34 138.95 45.68 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.154 -170.55 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 124' ' ' ILE . . . . . . . . . . . . . 84.7 mt -91.34 115.13 63.81 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.298 -173.539 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 125' ' ' PRO . . . . . . . . . . . . . 52.1 Cg_exo -55.44 154.88 22.58 Favored 'Trans proline' 0 N--CA 1.459 -0.534 0 C-N-CA 121.655 1.57 . . . . 0.0 111.218 171.867 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . -64.8 -11.95 42.53 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.232 179.065 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 127' ' ' ASP . . . . . . . . . . . . . 78.9 m-20 -103.06 12.24 36.2 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.101 -0.5 . . . . 0.0 111.135 -179.393 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 128' ' ' VAL . . . . . . . . . . . . . 54.7 t -122.03 138.6 51.74 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.396 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.268 -177.456 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 65.2 t0 -132.09 115.34 15.26 Favored Pre-proline 0 C--N 1.328 -0.357 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.186 -175.667 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 130' ' ' PRO . . . . . . . . . . . . . 90.1 Cg_endo -81.31 5.27 6.37 Favored 'Trans proline' 0 N--CA 1.458 -0.6 0 C-N-CA 121.616 1.544 . . . . 0.0 111.125 -173.826 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 131' ' ' LEU . . . . . . . . . . . . . 94.0 mt -99.12 3.24 46.57 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.175 173.204 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 132' ' ' THR . . . . . . . . . . . . . 69.6 p -114.49 8.37 16.45 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.207 -179.542 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 133' ' ' ILE . . . . . . . . . . . . . 43.3 pt -101.58 153.02 5.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.129 -170.49 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 134' ' ' THR . . . . . . . . . . . . . 62.7 m -134.29 91.29 2.78 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.216 172.475 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 135' ' ' SER . . . . . . . . . . . . . 76.9 p -65.16 157.34 29.0 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.224 179.562 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 136' ' ' SER . . . . . . . . . . . . . 43.3 t -171.67 146.95 2.22 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.216 -176.855 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 137' ' ' LEU . . . . . . . . . . . . . 7.2 mp -103.55 134.14 47.4 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.183 178.944 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 138' ' ' SER . . . . . . . . . . . . . 53.2 p -81.24 176.61 9.61 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.229 178.562 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 139' ' ' SER . . . . . . . . . . . . . 87.3 p -68.43 -16.12 63.79 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.189 175.334 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 140' ' ' ASP . . . . . . . . . . . . . 85.3 m-20 -95.92 -1.51 49.1 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.229 178.006 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 141' ' ' GLY . . . . . . . . . . . . . . . 83.07 33.88 22.48 Favored Glycine 0 CA--C 1.523 0.548 0 N-CA-C 111.277 -0.729 . . . . 0.0 111.277 178.699 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 142' ' ' VAL . . . . . . . . . . . . . 98.2 t -99.7 116.04 42.02 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-O 120.885 0.374 . . . . 0.0 111.114 178.847 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 143' ' ' LEU . . . . . . . . . . . . . 64.7 tp -78.92 121.5 24.96 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.176 176.866 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 144' ' ' THR . . . . . . . . . . . . . 87.0 m -119.36 96.08 5.06 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.212 -175.502 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 145' ' ' VAL . . . . . . . . . . . . . 65.0 t -91.22 118.41 36.46 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.369 0 CA-C-N 116.291 -0.413 . . . . 0.0 111.207 174.181 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 146' ' ' ASP . . . . . . . . . . . . . 3.6 p30 -151.1 142.08 23.0 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.182 -171.078 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 147' ' ' GLY . . . . . . . . . . . . . . . -171.54 151.99 16.68 Favored Glycine 0 CA--C 1.522 0.53 0 N-CA-C 111.228 -0.749 . . . . 0.0 111.228 -176.502 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 148' ' ' PRO . . . . . . . . . . . . . 76.1 Cg_exo -54.56 151.89 29.27 Favored 'Trans proline' 0 N--CA 1.458 -0.601 0 C-N-CA 121.724 1.616 . . . . 0.0 111.231 175.973 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 149' ' ' ARG . . . . . . . . . . . . . 98.4 mtt180 -57.3 166.74 1.09 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.213 -179.436 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 150' ' ' LYS . . . . . . . . . . . . . 83.1 tttt -67.69 -29.75 69.1 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.206 174.537 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 151' ' ' GLN . . . . . . . . . . . . . 83.5 mt-30 -62.29 -34.1 75.92 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.209 177.094 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 152' ' ' VAL . . . . . . . . . . . . . 88.1 t . . . . . 0 C--O 1.218 -0.58 0 CA-C-O 118.207 -0.901 . . . . 0.0 111.211 179.736 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' B' B ' 64' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.523 0.56 0 N-CA-C 111.272 -0.731 . . . . 0.0 111.272 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' B' B ' 65' ' ' LEU . . . . . . . . . . . . . 83.6 mt -107.55 160.75 15.44 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 120.82 0.343 . . . . 0.0 111.187 -179.906 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 66' ' ' SER . . . . . . . . . . . . . 47.9 t -98.6 109.06 21.88 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.197 -172.999 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 67' ' ' GLU . . . . . . . . . . . . . 87.4 tt0 -57.17 140.11 50.56 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.147 175.072 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 68' ' ' MET . . . . . . . . . . . . . 59.2 ttm -37.57 119.48 0.73 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.176 178.506 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 69' ' ' ARG . . . . . . . . . . . . . 78.9 ttt180 -118.74 117.78 29.82 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.16 -178.052 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 70' ' ' LEU . . . . . . . . . . . . . 9.5 mp -81.38 113.24 19.34 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.258 -179.681 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 71' ' ' GLU . . . . . 0.617 ' O ' ' C ' ' B' ' 72' ' ' LYS . 81.4 mm-40 -85.25 178.52 7.46 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.163 -0.472 . . . . 0.0 111.186 169.997 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 72' ' ' LYS . . . . . 0.617 ' C ' ' O ' ' B' ' 71' ' ' GLU . 88.1 tttt -13.6 -70.43 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.181 -176.883 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 73' ' ' ASP . . . . . . . . . . . . . 57.4 p-10 -142.83 44.4 1.59 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.284 -0.416 . . . . 0.0 111.278 178.326 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 74' ' ' ARG . . . . . . . . . . . . . 79.7 ttt180 -170.88 135.59 1.07 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.216 -175.767 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 75' ' ' PHE . . . . . . . . . . . . . 39.3 p90 -112.36 159.08 19.04 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.201 -176.741 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 76' ' ' SER . . . . . . . . . . . . . 97.5 p -144.3 158.48 43.71 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.283 177.587 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 77' ' ' VAL . . . . . . . . . . . . . 75.6 t -133.85 144.73 34.84 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.17 -176.79 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 78' ' ' ASN . . . . . . . . . . . . . 40.3 t-20 -125.84 103.97 8.07 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.324 176.414 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 79' ' ' LEU . . . . . . . . . . . . . 80.9 mt -115.97 152.52 33.34 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.223 176.888 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 80' ' ' ASP . . . . . . . . . . . . . 60.3 t0 -101.92 113.66 27.08 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.213 -178.787 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 81' ' ' VAL . . . . . . . . . . . . . 20.3 m -132.34 46.25 0.51 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.235 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.259 177.389 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 82' ' ' LYS . . . . . . . . . . . . . 83.9 tttt -79.38 137.94 37.48 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.139 178.735 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 83' ' ' HIS . . . . . . . . . . . . . 67.3 m-70 72.25 34.24 1.41 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.152 -176.072 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 84' ' ' PHE . . . . . . . . . . . . . 65.8 m-85 -122.88 145.59 48.32 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.298 172.737 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 85' ' ' SER . . . . . 0.413 ' O ' ' N ' ' B' ' 89' ' ' LEU . 74.2 m -109.82 151.07 42.14 Favored Pre-proline 0 C--N 1.328 -0.362 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.252 178.152 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 86' ' ' PRO . . . . . . . . . . . . . 72.1 Cg_exo -55.41 -26.2 52.19 Favored 'Trans proline' 0 N--CA 1.457 -0.622 0 C-N-CA 121.77 1.647 . . . . 0.0 111.197 179.158 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 87' ' ' GLU . . . . . . . . . . . . . 99.8 mt-10 -66.83 -26.51 66.96 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.251 -179.77 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 88' ' ' GLU . . . . . . . . . . . . . 80.7 mm-40 -121.84 -7.46 8.99 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.155 -179.019 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 89' ' ' LEU . . . . . 0.413 ' N ' ' O ' ' B' ' 85' ' ' SER . 64.3 tp -108.13 116.99 32.99 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.147 -175.859 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 90' ' ' LYS . . . . . . . . . . . . . 98.9 mttt -122.54 145.97 47.84 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.22 -175.007 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 91' ' ' VAL . . . . . . . . . . . . . 64.0 t -124.85 110.39 24.78 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.367 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.243 172.411 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 92' ' ' LYS . . . . . . . . . . . . . 87.1 tttt -125.73 147.3 49.42 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.139 -171.524 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 93' ' ' VAL . . . . . . . . . . . . . 61.5 t -111.78 116.35 52.3 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.187 166.069 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 94' ' ' LEU . . . . . 0.415 ' O ' ' HG ' ' B' ' 94' ' ' LEU . 68.9 tp -105.97 68.63 0.78 Allowed 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.152 -172.352 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 95' ' ' GLY . . . . . . . . . . . . . . . 79.34 -104.69 2.17 Favored Glycine 0 CA--C 1.523 0.542 0 N-CA-C 111.202 -0.759 . . . . 0.0 111.202 173.13 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 96' ' ' ASP . . . . . . . . . . . . . 89.1 m-20 -88.3 -6.04 58.0 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-O 120.757 0.313 . . . . 0.0 111.159 -178.36 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 97' ' ' VAL . . . . . . . . . . . . . 27.7 m -123.13 164.96 19.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.303 -0.408 . . . . 0.0 111.182 178.771 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 98' ' ' ILE . . . . . . . . . . . . . 91.2 mt -113.84 96.41 4.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.176 175.499 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 99' ' ' GLU . . . . . . . . . . . . . 86.4 tt0 -83.49 90.0 7.15 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.181 -172.408 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 100' ' ' VAL . . . . . . . . . . . . . 92.7 t -89.0 120.35 37.53 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.31 170.977 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 101' ' ' HIS . . . . . 0.559 ' H ' ' CD2' ' B' ' 101' ' ' HIS . 0.1 OUTLIER -143.55 130.47 20.49 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.23 -165.393 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' B' B ' 102' ' ' GLY . . . . . . . . . . . . . . . -134.18 -173.17 13.07 Favored Glycine 0 CA--C 1.523 0.564 0 N-CA-C 111.259 -0.736 . . . . 0.0 111.259 -171.551 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 103' ' ' LYS . . . . . . . . . . . . . 87.5 tttt -170.53 120.19 0.57 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.738 0.304 . . . . 0.0 111.185 171.996 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 104' ' ' HIS . . . . . 0.719 ' HD1' HH11 ' B' ' 107' ' ' ARG . 23.8 t-160 -119.61 111.61 18.28 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.253 170.783 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 105' ' ' GLU . . . . . . . . . . . . . 99.8 mt-10 -81.36 -58.89 2.84 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.298 -0.41 . . . . 0.0 111.211 -166.399 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 106' ' ' GLU . . . . . 0.408 ' HA ' ' CD1' ' B' ' 113' ' ' PHE . 98.1 mt-10 -90.17 86.93 6.67 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.159 176.962 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 107' ' ' ARG . . . . . 0.719 HH11 ' HD1' ' B' ' 104' ' ' HIS . 59.7 ttt85 -122.75 85.21 2.38 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.138 -174.42 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 108' ' ' GLN . . . . . . . . . . . . . 68.8 tp60 -44.47 123.36 3.53 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.216 177.579 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 109' ' ' ASP . . . . . . . . . . . . . 9.6 t0 -133.85 -157.89 0.84 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.151 -177.595 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 110' ' ' GLU . . . . . . . . . . . . . 92.2 mt-10 -67.73 -31.72 71.84 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.212 177.687 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 111' ' ' HIS . . . . . . . . . . . . . 68.0 m80 -119.87 87.15 2.69 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.219 179.29 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 112' ' ' GLY . . . . . . . . . . . . . . . 66.18 -133.47 33.72 Favored Glycine 0 CA--C 1.524 0.636 0 N-CA-C 111.09 -0.804 . . . . 0.0 111.09 -176.302 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 113' ' ' PHE . . . . . 0.408 ' CD1' ' HA ' ' B' ' 106' ' ' GLU . 23.0 p90 -118.95 148.66 42.71 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.742 0.305 . . . . 0.0 111.242 166.96 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 114' ' ' ILE . . . . . 0.415 ' HA ' ' O ' ' A' ' 119' ' ' HIS . 45.7 pt -110.88 152.3 12.88 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.398 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.168 -176.324 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 115' ' ' SER . . . . . . . . . . . . . 40.8 t -123.09 95.27 4.54 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.075 -0.512 . . . . 0.0 111.052 175.388 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 116' ' ' ARG . . . . . . . . . . . . . 97.0 mtt180 -107.47 117.74 34.89 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.227 -171.899 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 117' ' ' GLU . . . . . . . . . . . . . 88.8 tt0 -98.71 121.08 40.19 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.098 172.335 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 118' ' ' PHE . . . . . . . . . . . . . 91.9 m-85 -104.46 143.14 33.42 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.068 -0.515 . . . . 0.0 111.178 -166.055 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 119' ' ' HIS . . . . . 0.418 ' O ' ' HA ' ' A' ' 114' ' ' ILE . 49.1 m80 -133.87 156.27 48.38 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.185 155.707 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 120' ' ' ARG . . . . . 0.549 ' O ' ' CG ' ' B' ' 120' ' ' ARG . 13.3 ptp180 -155.56 104.37 2.36 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.328 168.06 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 121' ' ' LYS . . . . . . . . . . . . . 93.5 mttt -90.37 89.5 7.63 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.3 -179.318 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 122' ' ' TYR . . . . . . . . . . . . . 80.5 t80 -88.47 122.81 32.36 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.327 -174.755 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 123' ' ' ARG . . . . . . . . . . . . . 1.5 mpp_? -73.09 138.91 46.12 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.17 -170.521 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 124' ' ' ILE . . . . . . . . . . . . . 84.8 mt -91.52 115.36 64.33 Favored Pre-proline 0 C--N 1.328 -0.343 0 CA-C-N 116.275 -0.421 . . . . 0.0 111.168 -173.521 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 125' ' ' PRO . . . . . . . . . . . . . 51.8 Cg_exo -55.48 154.93 22.57 Favored 'Trans proline' 0 N--CA 1.459 -0.553 0 C-N-CA 121.747 1.631 . . . . 0.0 111.15 171.916 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 126' ' ' ALA . . . . . . . . . . . . . . . -64.86 -12.01 43.89 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.181 178.999 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 127' ' ' ASP . . . . . . . . . . . . . 78.8 m-20 -103.04 12.18 36.3 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.189 -179.336 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 128' ' ' VAL . . . . . . . . . . . . . 54.7 t -122.02 138.57 51.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.241 -177.472 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 129' ' ' ASP . . . . . . . . . . . . . 65.1 t0 -132.04 115.31 15.31 Favored Pre-proline 0 C--N 1.327 -0.387 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.28 -175.713 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 130' ' ' PRO . . . . . . . . . . . . . 91.9 Cg_endo -81.28 5.21 6.41 Favored 'Trans proline' 0 N--CA 1.457 -0.643 0 C-N-CA 121.668 1.578 . . . . 0.0 111.171 -173.689 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 131' ' ' LEU . . . . . . . . . . . . . 94.0 mt -98.99 3.1 46.88 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.191 173.197 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 132' ' ' THR . . . . . . . . . . . . . 69.0 p -114.39 8.39 16.59 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.269 -179.553 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 133' ' ' ILE . . . . . . . . . . . . . 43.2 pt -101.63 152.98 5.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.141 -170.525 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 134' ' ' THR . . . . . . . . . . . . . 63.7 m -134.34 91.35 2.78 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.241 172.449 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 135' ' ' SER . . . . . . . . . . . . . 77.3 p -65.26 157.33 29.26 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.187 179.59 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 136' ' ' SER . . . . . . . . . . . . . 43.0 t -171.65 146.98 2.24 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.104 -176.805 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 137' ' ' LEU . . . . . . . . . . . . . 7.2 mp -103.62 134.17 47.41 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.175 178.955 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 138' ' ' SER . . . . . . . . . . . . . 53.1 p -81.32 176.58 9.61 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.275 -0.42 . . . . 0.0 111.204 178.586 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 139' ' ' SER . . . . . . . . . . . . . 87.3 p -68.41 -16.11 63.8 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.151 175.425 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 140' ' ' ASP . . . . . . . . . . . . . 85.3 m-20 -95.85 -1.52 49.32 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.282 177.889 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 141' ' ' GLY . . . . . . . . . . . . . . . 83.15 33.91 22.16 Favored Glycine 0 CA--C 1.523 0.577 0 N-CA-C 111.2 -0.76 . . . . 0.0 111.2 178.612 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 142' ' ' VAL . . . . . . . . . . . . . 99.9 t -99.8 116.15 42.42 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.237 0 CA-C-O 120.858 0.361 . . . . 0.0 111.146 178.791 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 143' ' ' LEU . . . . . . . . . . . . . 64.9 tp -78.93 121.71 25.23 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.127 176.902 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 144' ' ' THR . . . . . . . . . . . . . 85.7 m -119.57 96.05 5.04 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.235 -175.561 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 145' ' ' VAL . . . . . . . . . . . . . 64.6 t -91.15 118.5 36.54 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.271 174.174 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 146' ' ' ASP . . . . . . . . . . . . . 3.6 p30 -151.15 141.98 22.86 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.255 -171.072 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 147' ' ' GLY . . . . . . . . . . . . . . . -171.39 152.04 16.96 Favored Glycine 0 CA--C 1.523 0.558 0 N-CA-C 111.181 -0.767 . . . . 0.0 111.181 -176.436 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 148' ' ' PRO . . . . . . . . . . . . . 76.3 Cg_exo -54.57 151.86 29.39 Favored 'Trans proline' 0 N--CA 1.459 -0.551 0 C-N-CA 121.735 1.624 . . . . 0.0 111.178 175.937 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 149' ' ' ARG . . . . . . . . . . . . . 98.4 mtt180 -57.15 166.56 1.07 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.32 -179.583 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 150' ' ' LYS . . . . . . . . . . . . . 83.2 tttt -67.81 -29.42 68.58 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.323 -0.398 . . . . 0.0 111.306 174.547 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 151' ' ' GLN . . . . . . . . . . . . . 83.5 mt-30 -62.51 -34.07 76.16 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.124 176.996 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 152' ' ' VAL . . . . . . . . . . . . . 88.1 t . . . . . 0 C--O 1.22 -0.455 0 CA-C-O 117.849 -1.072 . . . . 0.0 111.157 179.763 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.523 0.575 0 N-CA-C 111.201 -0.76 . . . . 0.0 111.201 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 90.0 mt -97.97 160.29 14.39 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.828 0.346 . . . . 0.0 111.225 -179.853 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 42.6 t -61.15 133.34 55.88 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.233 -178.104 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 85.6 tt0 -61.55 130.34 45.47 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.206 179.84 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 68' ' ' MET . . . . . . . . . . . . . 27.0 ptm -153.95 159.4 41.68 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.102 178.968 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 79.1 ttt180 -127.75 82.66 2.1 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.177 -178.133 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 57.9 tp -100.67 112.1 24.45 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.264 173.544 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 71' ' ' GLU . . . . . 0.409 ' HB3' ' H ' ' A' ' 72' ' ' LYS . 91.2 mt-10 -114.56 -149.85 0.45 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.305 -178.883 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 72' ' ' LYS . . . . . 0.409 ' H ' ' HB3' ' A' ' 71' ' ' GLU . 98.5 mttt -73.01 -28.47 62.38 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.2 176.575 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 56.1 p-10 -151.89 33.79 0.54 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.155 179.532 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 91.3 mmt-85 -135.3 153.74 51.78 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.307 -0.406 . . . . 0.0 111.262 178.876 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 75' ' ' PHE . . . . . . . . . . . . . 57.6 t80 -163.88 119.69 1.63 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.307 -0.406 . . . . 0.0 111.275 175.473 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 40.4 t -146.29 143.65 29.3 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.267 -179.342 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 99.0 t -124.49 121.42 61.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.21 -175.137 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 57.0 t-20 -89.81 113.99 25.64 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.168 175.651 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 63.3 mt -113.2 146.36 39.43 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.246 -176.52 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 67.6 t0 -102.87 107.05 17.75 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.157 -172.178 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 30.4 m -147.55 34.3 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.273 176.012 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 98.7 mttt -65.4 -21.41 66.67 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.114 -168.776 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 73.8 m80 -94.75 0.29 54.84 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.309 -0.405 . . . . 0.0 111.187 -172.853 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 84' ' ' PHE . . . . . . . . . . . . . 13.1 m-85 -107.2 169.22 8.69 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.177 -169.675 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 72.6 m -104.74 157.45 34.14 Favored Pre-proline 0 C--N 1.33 -0.277 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.114 173.065 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 72.6 Cg_exo -54.09 -33.48 74.04 Favored 'Trans proline' 0 N--CA 1.457 -0.628 0 C-N-CA 121.666 1.578 . . . . 0.0 111.232 177.378 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 99.4 mt-10 -78.38 -21.81 48.83 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.207 179.089 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 95.2 mt-10 -85.14 -17.06 38.42 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.16 176.464 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -96.04 103.92 15.84 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.229 -0.442 . . . . 0.0 111.215 -176.868 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 99.2 mttt -95.19 69.36 3.16 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.222 172.765 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 75.5 t -73.53 109.1 5.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.244 -176.734 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 98.6 mttt -124.95 165.04 18.82 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.197 -170.572 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 33.8 m -127.13 154.49 37.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.236 168.977 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 94' ' ' LEU . . . . . 0.441 ' HB2' ' CG2' ' A' ' 97' ' ' VAL . 82.7 mt -127.85 67.1 1.34 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.169 177.999 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 92.36 -92.78 1.71 Allowed Glycine 0 CA--C 1.524 0.638 0 N-CA-C 111.232 -0.747 . . . . 0.0 111.232 178.097 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 46.3 p-10 -115.91 23.61 12.11 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.798 0.332 . . . . 0.0 111.229 177.615 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 97' ' ' VAL . . . . . 0.441 ' CG2' ' HB2' ' A' ' 94' ' ' LEU . 22.2 m -133.02 165.04 33.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.118 176.225 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 98' ' ' ILE . . . . . . . . . . . . . 64.5 mt -121.9 86.75 1.05 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.126 -174.896 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 39.7 tt0 -74.92 94.03 2.76 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.24 -179.114 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 100' ' ' VAL . . . . . 0.446 ' HB ' ' HB2' ' A' ' 120' ' ' ARG . 46.6 t -81.26 103.41 8.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.297 -0.411 . . . . 0.0 111.276 178.549 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 101' ' ' HIS . . . . . 0.477 ' O ' ' CD2' ' A' ' 101' ' ' HIS . 7.9 t-160 -102.83 64.58 0.87 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.108 -172.523 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . -76.27 153.41 43.04 Favored Glycine 0 CA--C 1.523 0.546 0 N-CA-C 111.166 -0.774 . . . . 0.0 111.166 175.928 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 103' ' ' LYS . . . . . 0.44 ' HA ' ' HA ' ' A' ' 117' ' ' GLU . 86.0 tttt -153.58 114.56 4.09 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.806 0.336 . . . . 0.0 111.156 -170.946 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 104' ' ' HIS . . . . . 0.635 ' HD1' ' HE ' ' A' ' 116' ' ' ARG . 13.9 m170 -81.71 155.56 25.47 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.293 157.42 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 88.6 tt0 -151.45 132.01 13.9 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.225 170.525 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 95.1 mt-10 58.75 54.63 5.13 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.123 -175.551 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 23.6 ttt180 -114.38 105.98 13.77 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.99 0.424 . . . . 0.0 111.133 -174.913 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 108' ' ' GLN . . . . . . . . . . . . . 65.4 tp60 -66.45 106.73 1.83 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.178 178.467 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 51.6 p-10 -116.54 -147.73 0.42 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.196 176.371 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 15.8 pm0 -66.47 -27.76 68.05 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.338 -177.695 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 111' ' ' HIS . . . . . . . . . . . . . 95.6 m-70 -96.97 -52.19 3.96 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.18 -177.399 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 173.56 -159.01 28.67 Favored Glycine 0 CA--C 1.523 0.573 0 N-CA-C 111.194 -0.763 . . . . 0.0 111.194 -166.711 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 113' ' ' PHE . . . . . . . . . . . . . 65.8 m-85 -84.93 96.66 9.42 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.732 0.301 . . . . 0.0 111.244 177.756 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 114' ' ' ILE . . . . . 0.435 HG22 ' HA ' ' B' ' 120' ' ' ARG . 26.7 pt -89.0 164.61 2.18 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.362 0 CA-C-N 116.297 -0.41 . . . . 0.0 111.135 -172.666 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 31.1 t -142.25 92.12 2.4 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.066 -0.516 . . . . 0.0 111.208 164.788 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 116' ' ' ARG . . . . . 0.686 ' O ' ' HG3' ' A' ' 116' ' ' ARG . 32.1 ptt180 -108.72 75.77 0.98 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.185 -164.649 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 117' ' ' GLU . . . . . 0.44 ' HA ' ' HA ' ' A' ' 103' ' ' LYS . 14.0 pt-20 -72.54 148.29 45.13 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.196 175.553 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 118' ' ' PHE . . . . . . . . . . . . . 52.5 m-85 -117.08 169.29 9.55 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.238 -174.6 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 119' ' ' HIS . . . . . . . . . . . . . 78.3 m80 -143.46 60.9 1.39 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.225 163.063 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 120' ' ' ARG . . . . . 0.446 ' HB2' ' HB ' ' A' ' 100' ' ' VAL . 96.6 mtt180 -75.93 85.2 2.86 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.202 -165.211 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 121' ' ' LYS . . . . . . . . . . . . . 41.3 ttmt -67.12 76.87 0.14 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.169 -177.259 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 122' ' ' TYR . . . . . 0.469 ' CD1' ' C ' ' A' ' 122' ' ' TYR . 1.8 t80 -80.18 104.98 11.11 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.273 -177.848 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 123' ' ' ARG . . . . . . . . . . . . . 57.7 mtm180 -86.9 139.36 30.71 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.216 -158.362 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 124' ' ' ILE . . . . . . . . . . . . . 78.3 mt -90.8 131.03 38.72 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.186 -173.497 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 125' ' ' PRO . . . . . . . . . . . . . 84.1 Cg_exo -49.9 144.48 21.08 Favored 'Trans proline' 0 N--CA 1.458 -0.596 0 C-N-CA 121.709 1.606 . . . . 0.0 111.193 175.508 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . -64.35 -11.63 34.4 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.139 -179.578 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 127' ' ' ASP . . . . . . . . . . . . . 82.4 m-20 -99.4 11.12 40.0 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.303 -0.408 . . . . 0.0 111.234 -179.774 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 128' ' ' VAL . . . . . . . . . . . . . 73.9 t -125.37 136.42 60.89 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.246 -178.964 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 59.9 t0 -86.92 117.24 68.36 Favored Pre-proline 0 C--N 1.329 -0.326 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.216 -174.344 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 130' ' ' PRO . . . . . . . . . . . . . 72.2 Cg_endo -76.78 -7.87 17.73 Favored 'Trans proline' 0 N--CA 1.458 -0.563 0 C-N-CA 121.65 1.567 . . . . 0.0 111.238 -173.522 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 131' ' ' LEU . . . . . . . . . . . . . 92.9 mt -99.43 6.27 46.05 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.127 -177.77 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 132' ' ' THR . . . . . . . . . . . . . 66.8 p -123.38 13.05 9.49 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.228 -178.995 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 133' ' ' ILE . . . . . . . . . . . . . 37.7 pt -97.1 146.23 7.84 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.137 -179.572 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 134' ' ' THR . . . . . . . . . . . . . 89.6 m -139.38 97.39 3.27 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.138 -176.838 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 135' ' ' SER . . . . . . . . . . . . . 66.3 p -66.56 156.08 35.97 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.273 173.359 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 136' ' ' SER . . . . . . . . . . . . . 97.5 p -164.24 157.9 18.35 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.18 -179.853 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 137' ' ' LEU . . . . . . . . . . . . . 94.2 mt -114.77 152.78 31.52 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.075 -177.411 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 138' ' ' SER . . . . . 0.651 ' HG ' ' H ' ' A' ' 140' ' ' ASP . 28.4 p -108.05 -179.52 3.92 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.239 175.813 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 139' ' ' SER . . . . . . . . . . . . . 86.7 p -69.25 -17.22 63.73 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.287 -0.415 . . . . 0.0 111.121 176.036 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 140' ' ' ASP . . . . . 0.651 ' H ' ' HG ' ' A' ' 138' ' ' SER . 85.4 m-20 -97.71 -6.24 33.42 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.053 178.823 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 141' ' ' GLY . . . . . . . . . . . . . . . 88.85 25.33 29.91 Favored Glycine 0 CA--C 1.524 0.619 0 N-CA-C 111.294 -0.722 . . . . 0.0 111.294 -179.761 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 142' ' ' VAL . . . . . . . . . . . . . 98.4 t -81.03 104.17 9.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-O 120.885 0.374 . . . . 0.0 111.147 179.329 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 143' ' ' LEU . . . . . . . . . . . . . 60.4 tp -87.68 120.96 29.52 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.244 178.514 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 144' ' ' THR . . . . . . . . . . . . . 91.0 m -133.52 117.63 17.36 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.299 179.067 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 145' ' ' VAL . . . . . . . . . . . . . 7.4 p -110.68 135.15 50.67 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.115 174.889 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 146' ' ' ASP . . . . . 0.51 ' O ' ' OD1' ' A' ' 146' ' ' ASP . 20.2 p30 -162.08 143.21 10.67 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.212 -164.977 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 147' ' ' GLY . . . . . . . . . . . . . . . -166.36 149.04 14.44 Favored Glycine 0 CA--C 1.522 0.518 0 N-CA-C 111.256 -0.738 . . . . 0.0 111.256 -175.617 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 148' ' ' PRO . . . . . . . . . . . . . 88.8 Cg_exo -56.68 147.07 73.32 Favored 'Trans proline' 0 N--CA 1.458 -0.567 0 C-N-CA 121.714 1.609 . . . . 0.0 111.247 -177.416 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 149' ' ' ARG . . . . . . . . . . . . . 67.7 mtp180 -59.4 171.64 0.77 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.225 173.338 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 150' ' ' LYS . . . . . . . . . . . . . 97.6 mttt -76.61 -22.95 53.49 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.191 169.117 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 151' ' ' GLN . . . . . . . . . . . . . 99.9 mm-40 -96.08 -1.04 49.49 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.108 179.766 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 152' ' ' VAL . . . . . . . . . . . . . 14.2 p . . . . . 0 C--O 1.22 -0.467 0 CA-C-O 117.862 -1.066 . . . . 0.0 111.179 178.259 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' B' B ' 64' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.524 0.61 0 N-CA-C 111.116 -0.794 . . . . 0.0 111.116 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' B' B ' 65' ' ' LEU . . . . . . . . . . . . . 90.6 mt -97.95 160.35 14.36 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 120.875 0.369 . . . . 0.0 111.131 -179.775 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 66' ' ' SER . . . . . . . . . . . . . 42.2 t -61.29 133.4 55.84 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.157 -178.065 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 67' ' ' GLU . . . . . . . . . . . . . 85.6 tt0 -61.54 130.27 45.17 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.202 179.82 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 68' ' ' MET . . . . . . . . . . . . . 27.0 ptm -153.81 159.49 41.88 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.088 178.958 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 69' ' ' ARG . . . . . . . . . . . . . 79.1 ttt180 -127.78 82.67 2.1 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.112 -178.173 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 70' ' ' LEU . . . . . . . . . . . . . 57.5 tp -100.76 112.27 24.64 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.182 173.565 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 71' ' ' GLU . . . . . . . . . . . . . 91.4 mt-10 -114.7 -149.79 0.45 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.162 -178.818 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 72' ' ' LYS . . . . . . . . . . . . . 98.5 mttt -73.08 -28.47 62.31 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.215 176.654 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 73' ' ' ASP . . . . . . . . . . . . . 55.9 p-10 -151.89 33.76 0.54 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.067 -0.515 . . . . 0.0 111.105 179.546 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 74' ' ' ARG . . . . . . . . . . . . . 91.3 mmt-85 -135.19 153.76 51.84 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.314 -0.403 . . . . 0.0 111.278 178.735 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 75' ' ' PHE . . . . . . . . . . . . . 58.2 t80 -163.79 119.82 1.66 Allowed 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.288 175.411 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 76' ' ' SER . . . . . . . . . . . . . 40.4 t -146.37 143.72 29.26 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.119 -179.266 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 77' ' ' VAL . . . . . . . . . . . . . 99.1 t -124.68 121.27 60.96 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.368 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.229 -175.196 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 78' ' ' ASN . . . . . . . . . . . . . 56.8 t-20 -89.64 114.1 25.66 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.086 -0.506 . . . . 0.0 111.198 175.601 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 79' ' ' LEU . . . . . . . . . . . . . 64.0 mt -113.28 146.35 39.52 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.162 -176.523 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 80' ' ' ASP . . . . . . . . . . . . . 67.6 t0 -102.86 107.04 17.74 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.118 -172.161 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 81' ' ' VAL . . . . . . . . . . . . . 30.2 m -147.55 34.17 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.257 176.061 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 82' ' ' LYS . . . . . . . . . . . . . 98.8 mttt -65.23 -21.45 66.75 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.307 -168.837 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 83' ' ' HIS . . . . . . . . . . . . . 73.8 m80 -94.68 0.17 54.84 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.209 -172.839 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 84' ' ' PHE . . . . . . . . . . . . . 13.1 m-85 -107.14 169.22 8.69 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.21 -169.645 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 85' ' ' SER . . . . . . . . . . . . . 73.0 m -104.68 157.35 34.32 Favored Pre-proline 0 C--N 1.328 -0.368 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.231 172.991 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 86' ' ' PRO . . . . . . . . . . . . . 73.6 Cg_exo -54.14 -33.34 73.98 Favored 'Trans proline' 0 N--CA 1.458 -0.588 0 C-N-CA 121.611 1.541 . . . . 0.0 111.24 177.408 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 87' ' ' GLU . . . . . . . . . . . . . 99.4 mt-10 -78.39 -21.86 48.72 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.202 179.012 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 88' ' ' GLU . . . . . . . . . . . . . 95.2 mt-10 -85.1 -17.06 38.49 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.202 176.429 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 89' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -96.07 103.96 15.88 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.142 -176.82 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 90' ' ' LYS . . . . . . . . . . . . . 99.3 mttt -95.29 69.47 3.13 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.285 172.712 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 91' ' ' VAL . . . . . . . . . . . . . 75.2 t -73.47 109.09 5.41 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.367 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.098 -176.604 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 92' ' ' LYS . . . . . . . . . . . . . 98.6 mttt -125.05 165.12 18.75 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.172 -170.712 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 93' ' ' VAL . . . . . . . . . . . . . 33.9 m -127.23 154.53 37.6 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.305 168.901 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 94' ' ' LEU . . . . . 0.432 ' HB2' ' CG2' ' B' ' 97' ' ' VAL . 83.0 mt -127.79 67.26 1.33 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.181 178.045 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 95' ' ' GLY . . . . . . . . . . . . . . . 92.27 -92.79 1.72 Allowed Glycine 0 CA--C 1.522 0.525 0 N-CA-C 111.207 -0.757 . . . . 0.0 111.207 178.078 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 96' ' ' ASP . . . . . . . . . . . . . 46.3 p-10 -115.94 23.61 12.1 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.814 0.34 . . . . 0.0 111.189 177.714 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 97' ' ' VAL . . . . . 0.432 ' CG2' ' HB2' ' B' ' 94' ' ' LEU . 22.2 m -133.11 165.03 33.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.154 176.139 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 98' ' ' ILE . . . . . . . . . . . . . 64.8 mt -121.91 86.88 1.06 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.181 -174.89 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 99' ' ' GLU . . . . . . . . . . . . . 39.7 tt0 -75.02 94.06 2.81 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.245 -179.053 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 100' ' ' VAL . . . . . 0.469 ' HB ' ' HB2' ' B' ' 120' ' ' ARG . 46.8 t -81.31 103.45 8.4 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.396 0 CA-C-N 116.266 -0.424 . . . . 0.0 111.102 178.703 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 101' ' ' HIS . . . . . 0.47 ' CD2' ' O ' ' B' ' 101' ' ' HIS . 7.9 t-160 -102.86 64.6 0.87 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.178 -172.705 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 102' ' ' GLY . . . . . . . . . . . . . . . -76.27 153.39 43.0 Favored Glycine 0 CA--C 1.523 0.564 0 N-CA-C 111.176 -0.769 . . . . 0.0 111.176 175.84 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 103' ' ' LYS . . . . . 0.423 ' HA ' ' HA ' ' B' ' 117' ' ' GLU . 85.9 tttt -153.56 114.59 4.1 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.938 0.399 . . . . 0.0 111.144 -170.915 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 104' ' ' HIS . . . . . 0.629 ' HD1' ' HE ' ' B' ' 116' ' ' ARG . 13.7 m170 -81.73 155.62 25.42 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.16 157.507 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 105' ' ' GLU . . . . . . . . . . . . . 88.6 tt0 -151.44 132.08 13.96 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.245 170.434 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 106' ' ' GLU . . . . . . . . . . . . . 95.1 mt-10 58.73 54.54 5.21 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.117 -175.587 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 107' ' ' ARG . . . . . . . . . . . . . 23.5 ttt180 -114.13 105.79 13.61 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.255 -0.429 . . . . 0.0 111.222 -174.98 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 108' ' ' GLN . . . . . . . . . . . . . 65.6 tp60 -66.32 106.84 1.81 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.297 178.294 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 109' ' ' ASP . . . . . . . . . . . . . 51.6 p-10 -116.51 -147.77 0.42 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.162 176.419 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 110' ' ' GLU . . . . . . . . . . . . . 15.6 pm0 -66.64 -27.79 67.96 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.069 -0.514 . . . . 0.0 111.173 -177.572 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 111' ' ' HIS . . . . . . . . . . . . . 95.4 m-70 -96.89 -52.22 3.97 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.205 -177.393 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 112' ' ' GLY . . . . . . . . . . . . . . . 173.55 -159.09 28.8 Favored Glycine 0 CA--C 1.524 0.627 0 N-CA-C 111.209 -0.756 . . . . 0.0 111.209 -166.768 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 113' ' ' PHE . . . . . . . . . . . . . 66.2 m-85 -84.85 96.72 9.4 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.775 0.322 . . . . 0.0 111.324 177.725 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 114' ' ' ILE . . . . . 0.434 HG22 ' HA ' ' A' ' 120' ' ' ARG . 26.3 pt -88.97 164.62 2.18 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.366 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.174 -172.635 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 115' ' ' SER . . . . . . . . . . . . . 30.9 t -142.29 92.02 2.39 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.159 164.876 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 116' ' ' ARG . . . . . 0.668 ' O ' ' HG3' ' B' ' 116' ' ' ARG . 32.0 ptt180 -108.64 75.72 0.98 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.103 -0.499 . . . . 0.0 111.247 -164.689 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 117' ' ' GLU . . . . . 0.423 ' HA ' ' HA ' ' B' ' 103' ' ' LYS . 13.9 pt-20 -72.66 148.44 44.78 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.198 175.621 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 118' ' ' PHE . . . . . . . . . . . . . 52.4 m-85 -117.21 169.24 9.62 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.141 -174.501 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 119' ' ' HIS . . . . . . . . . . . . . 78.1 m80 -143.35 60.87 1.4 Allowed 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.248 163.03 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 120' ' ' ARG . . . . . 0.469 ' HB2' ' HB ' ' B' ' 100' ' ' VAL . 96.7 mtt180 -75.9 85.37 2.84 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.142 -165.24 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 121' ' ' LYS . . . . . . . . . . . . . 41.3 ttmt -67.26 76.81 0.15 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.306 -177.328 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 122' ' ' TYR . . . . . 0.461 ' C ' ' CD1' ' B' ' 122' ' ' TYR . 1.8 t80 -80.02 104.91 10.91 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.184 -177.77 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 123' ' ' ARG . . . . . . . . . . . . . 57.8 mtm180 -86.95 139.24 30.8 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.203 -158.478 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 124' ' ' ILE . . . . . . . . . . . . . 78.4 mt -90.68 131.08 38.81 Favored Pre-proline 0 C--N 1.33 -0.249 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.263 -173.526 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 125' ' ' PRO . . . . . . . . . . . . . 83.0 Cg_exo -50.04 144.6 21.59 Favored 'Trans proline' 0 N--CA 1.458 -0.612 0 C-N-CA 121.62 1.546 . . . . 0.0 111.223 175.553 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 126' ' ' ALA . . . . . . . . . . . . . . . -64.39 -11.59 34.41 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.197 -179.51 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 127' ' ' ASP . . . . . . . . . . . . . 82.3 m-20 -99.37 11.13 39.98 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.234 -179.787 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 128' ' ' VAL . . . . . . . . . . . . . 74.9 t -125.33 136.39 60.99 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.38 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.267 -178.875 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 129' ' ' ASP . . . . . . . . . . . . . 60.2 t0 -87.1 117.38 68.54 Favored Pre-proline 0 C--N 1.328 -0.35 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.073 -174.285 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 130' ' ' PRO . . . . . . . . . . . . . 73.4 Cg_endo -76.75 -8.0 17.82 Favored 'Trans proline' 0 N--CA 1.458 -0.604 0 C-N-CA 121.649 1.566 . . . . 0.0 111.227 -173.561 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 131' ' ' LEU . . . . . . . . . . . . . 92.6 mt -99.2 6.0 46.52 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.171 -177.797 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 132' ' ' THR . . . . . . . . . . . . . 67.1 p -123.19 12.99 9.61 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.339 -0.392 . . . . 0.0 111.183 -178.883 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 133' ' ' ILE . . . . . . . . . . . . . 37.5 pt -97.16 146.14 8.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.151 -179.444 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 134' ' ' THR . . . . . . . . . . . . . 87.2 m -139.25 97.25 3.25 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.22 -176.729 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 135' ' ' SER . . . . . . . . . . . . . 67.6 p -66.58 156.08 36.02 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.232 173.478 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 136' ' ' SER . . . . . . . . . . . . . 97.6 p -164.2 157.86 18.42 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.124 -179.758 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 137' ' ' LEU . . . . . . . . . . . . . 94.1 mt -114.73 152.75 31.5 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.148 -177.486 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 138' ' ' SER . . . . . 0.646 ' HG ' ' H ' ' B' ' 140' ' ' ASP . 28.9 p -108.01 -179.37 3.88 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.22 175.826 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 139' ' ' SER . . . . . . . . . . . . . 86.5 p -69.27 -17.42 63.75 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.14 176.017 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 140' ' ' ASP . . . . . 0.646 ' H ' ' HG ' ' B' ' 138' ' ' SER . 85.3 m-20 -97.51 -6.42 33.72 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.138 178.877 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 141' ' ' GLY . . . . . . . . . . . . . . . 88.89 25.4 29.64 Favored Glycine 0 CA--C 1.524 0.634 0 N-CA-C 111.264 -0.734 . . . . 0.0 111.264 -179.721 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 142' ' ' VAL . . . . . . . . . . . . . 98.4 t -80.94 103.99 8.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-O 120.886 0.374 . . . . 0.0 111.185 179.26 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 143' ' ' LEU . . . . . . . . . . . . . 59.7 tp -87.57 121.16 29.65 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.176 178.55 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 144' ' ' THR . . . . . . . . . . . . . 91.3 m -133.68 117.45 17.0 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.183 179.254 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 145' ' ' VAL . . . . . . . . . . . . . 7.5 p -110.72 135.15 50.7 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.134 174.853 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 146' ' ' ASP . . . . . 0.515 ' O ' ' OD1' ' B' ' 146' ' ' ASP . 20.2 p30 -162.07 143.21 10.68 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.181 -164.897 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 147' ' ' GLY . . . . . . . . . . . . . . . -166.35 149.01 14.37 Favored Glycine 0 CA--C 1.525 0.661 0 N-CA-C 111.158 -0.777 . . . . 0.0 111.158 -175.57 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 148' ' ' PRO . . . . . . . . . . . . . 87.0 Cg_exo -56.57 147.22 71.2 Favored 'Trans proline' 0 N--CA 1.459 -0.519 0 C-N-CA 121.59 1.527 . . . . 0.0 111.291 -177.536 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 149' ' ' ARG . . . . . . . . . . . . . 67.6 mtp180 -59.47 171.61 0.79 Allowed 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.24 173.264 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 150' ' ' LYS . . . . . . . . . . . . . 97.7 mttt -76.6 -22.94 53.54 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.325 -0.398 . . . . 0.0 111.238 169.038 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 151' ' ' GLN . . . . . . . . . . . . . 99.9 mm-40 -95.98 -1.18 49.55 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.187 179.722 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 152' ' ' VAL . . . . . . . . . . . . . 14.0 p . . . . . 0 C--O 1.22 -0.47 0 CA-C-O 117.866 -1.064 . . . . 0.0 111.242 178.235 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.523 0.573 0 N-CA-C 111.196 -0.761 . . . . 0.0 111.196 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 95.0 mt -90.14 -15.01 32.45 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.866 0.365 . . . . 0.0 111.257 179.988 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 92.4 p -75.97 160.24 30.06 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.191 179.919 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 79.9 mm-40 -123.61 -8.44 7.96 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.106 -179.176 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 68' ' ' MET . . . . . . . . . . . . . 59.9 ttm -72.89 123.43 23.4 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.318 -0.401 . . . . 0.0 111.236 177.609 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 78.1 ttt180 -121.9 115.08 21.94 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.245 174.996 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 62.7 tp -78.13 105.68 9.51 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.178 178.829 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 71' ' ' GLU . . . . . 0.532 ' O ' ' C ' ' A' ' 72' ' ' LYS . 80.9 mm-40 -70.6 -177.55 1.55 Allowed 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.266 167.023 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 72' ' ' LYS . . . . . 0.532 ' C ' ' O ' ' A' ' 71' ' ' GLU . 88.0 tttt -27.26 -61.66 0.09 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.302 -0.408 . . . . 0.0 111.15 -176.456 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 58.1 p-10 -144.55 44.59 1.4 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.276 -177.595 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 20.6 ptp180 -178.57 144.27 0.28 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.158 -178.09 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 75' ' ' PHE . . . . . 0.437 ' C ' ' CD1' ' A' ' 75' ' ' PHE . 7.4 p90 -108.36 155.47 20.5 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.292 -0.413 . . . . 0.0 111.191 -173.016 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 38.1 t -138.2 125.99 22.4 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.197 174.076 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 64.1 t -98.87 109.74 24.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.212 -174.377 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 62.2 t-20 -84.62 85.63 7.4 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.193 -178.809 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 74.5 mt -77.83 135.71 37.98 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.257 -172.985 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 66.1 t0 -91.22 117.92 30.03 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.19 -177.938 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 85.5 t -107.33 114.57 46.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.061 -0.518 . . . . 0.0 111.233 176.026 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 88.1 tttt -106.58 93.77 4.77 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.218 -173.738 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 79.8 m-70 61.84 49.93 4.53 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.218 175.035 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 84' ' ' PHE . . . . . . . . . . . . . 91.5 m-85 -119.93 149.43 42.13 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.314 172.37 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 85' ' ' SER . . . . . 0.432 ' O ' ' HG ' ' A' ' 89' ' ' LEU . 67.8 m -91.86 137.53 25.32 Favored Pre-proline 0 C--N 1.328 -0.348 0 CA-C-N 116.33 -0.395 . . . . 0.0 111.144 -178.862 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 55.7 Cg_endo -67.9 -15.57 44.0 Favored 'Trans proline' 0 N--CA 1.457 -0.64 0 C-N-CA 121.641 1.561 . . . . 0.0 111.252 179.74 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 99.0 mt-10 -78.43 -15.25 58.86 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.234 172.338 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 73.0 mt-10 -120.58 -4.58 9.79 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.214 -179.119 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 89' ' ' LEU . . . . . 0.432 ' HG ' ' O ' ' A' ' 85' ' ' SER . 91.5 mt -82.36 140.22 33.64 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.14 170.283 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 97.8 mttt -134.62 64.88 1.58 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.125 -0.488 . . . . 0.0 111.125 -179.261 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 13.3 p -60.27 135.35 25.03 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.286 -0.415 . . . . 0.0 111.192 178.411 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 92' ' ' LYS . . . . . 0.412 ' O ' ' N ' ' A' ' 99' ' ' GLU . 86.8 tttt -153.68 156.73 38.4 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.235 -173.013 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 33.7 m -124.42 160.72 28.65 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.214 167.608 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 25.2 tp -144.93 70.67 1.28 Allowed 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.191 177.925 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 82.08 -103.14 2.34 Favored Glycine 0 CA--C 1.523 0.571 0 N-CA-C 111.216 -0.753 . . . . 0.0 111.216 179.714 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 51.2 p-10 -103.44 21.3 16.26 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.849 0.357 . . . . 0.0 111.236 -177.385 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 97' ' ' VAL . . . . . 0.424 ' HA ' ' HA ' ' A' ' 123' ' ' ARG . 33.9 m -131.22 162.32 39.48 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.215 171.748 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 98' ' ' ILE . . . . . . . . . . . . . 63.4 mt -118.08 94.5 3.11 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.38 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.236 172.842 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 99' ' ' GLU . . . . . 0.412 ' N ' ' O ' ' A' ' 92' ' ' LYS . 57.2 mt-10 -72.45 78.81 1.04 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.361 -0.381 . . . . 0.0 111.208 -176.052 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 100' ' ' VAL . . . . . 0.415 ' HB ' ' HB2' ' A' ' 120' ' ' ARG . 47.8 t -76.77 77.92 0.62 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.167 -178.22 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 101' ' ' HIS . . . . . . . . . . . . . 63.5 t-80 -81.59 151.11 27.83 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.058 176.085 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . -179.15 161.05 26.95 Favored Glycine 0 CA--C 1.521 0.461 0 N-CA-C 111.217 -0.753 . . . . 0.0 111.217 177.158 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 103' ' ' LYS . . . . . 0.448 ' HA ' ' O ' ' A' ' 116' ' ' ARG . 64.2 pttt -156.2 151.87 27.14 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-O 120.778 0.323 . . . . 0.0 111.172 176.451 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 104' ' ' HIS . . . . . . . . . . . . . 27.0 t-80 -129.59 115.25 17.12 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.284 -0.416 . . . . 0.0 111.19 161.837 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 105' ' ' GLU . . . . . 0.566 ' O ' ' C ' ' A' ' 106' ' ' GLU . 98.2 mt-10 -66.43 -175.52 0.37 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.254 -177.516 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 106' ' ' GLU . . . . . 0.566 ' C ' ' O ' ' A' ' 105' ' ' GLU . 99.3 mt-10 -25.64 116.44 0.06 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.266 -0.425 . . . . 0.0 111.152 -170.964 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 54.1 ttp180 -134.9 74.77 1.54 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.113 -161.574 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 108' ' ' GLN . . . . . . . . . . . . . 73.6 tp60 -45.48 109.44 0.17 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.154 178.28 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 14.3 t0 -164.15 -136.73 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.193 -172.722 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 99.7 mt-10 -46.22 -64.46 0.75 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.252 -178.306 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 111' ' ' HIS . . . . . . . . . . . . . 69.8 m80 -111.43 79.8 1.25 Allowed 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.103 -175.966 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 55.34 -134.1 48.89 Favored Glycine 0 CA--C 1.522 0.529 0 N-CA-C 111.209 -0.757 . . . . 0.0 111.209 -178.483 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 113' ' ' PHE . . . . . 0.486 ' O ' ' N ' ' B' ' 121' ' ' LYS . 97.5 m-85 -89.17 130.07 35.66 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.78 0.324 . . . . 0.0 111.223 172.36 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 114' ' ' ILE . . . . . . . . . . . . . 5.1 mp -118.57 99.24 7.57 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 CA-C-N 116.294 -0.412 . . . . 0.0 111.105 -178.532 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 46.3 t -92.98 94.2 8.77 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.295 174.961 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 116' ' ' ARG . . . . . 0.448 ' O ' ' HA ' ' A' ' 103' ' ' LYS . 42.4 ttm180 -121.48 104.58 9.77 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.154 -162.724 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 85.9 tt0 -101.74 121.17 41.55 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.166 175.378 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 118' ' ' PHE . . . . . 0.43 ' HA ' ' HA ' ' B' ' 116' ' ' ARG . 39.5 p90 -124.73 165.95 17.04 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.345 -171.821 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 119' ' ' HIS . . . . . . . . . . . . . 19.1 t-160 -148.12 81.57 1.48 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.183 -179.904 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 120' ' ' ARG . . . . . 0.415 ' HB2' ' HB ' ' A' ' 100' ' ' VAL . 87.5 mtm180 -86.04 82.1 8.23 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.175 -173.82 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 121' ' ' LYS . . . . . 0.477 ' N ' ' O ' ' B' ' 113' ' ' PHE . 41.7 ttmt -68.59 78.93 0.28 Allowed 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.227 -179.038 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 122' ' ' TYR . . . . . . . . . . . . . 3.4 t80 -72.55 110.18 6.74 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.291 -176.381 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 123' ' ' ARG . . . . . 0.424 ' HA ' ' HA ' ' A' ' 97' ' ' VAL . 49.8 ttt180 -94.08 143.54 26.27 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.116 -159.341 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 124' ' ' ILE . . . . . . . . . . . . . 13.2 mt -109.95 136.56 20.4 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.194 -176.493 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 125' ' ' PRO . . . . . . . . . . . . . 72.1 Cg_exo -46.24 153.32 1.09 Allowed 'Trans proline' 0 N--CA 1.458 -0.574 0 C-N-CA 121.665 1.577 . . . . 0.0 111.199 165.704 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . -77.41 7.64 5.14 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.106 -167.22 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 127' ' ' ASP . . . . . . . . . . . . . 95.2 m-20 -84.02 -8.23 59.19 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.21 -179.374 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 128' ' ' VAL . . . . . . . . . . . . . 10.6 p -78.71 150.2 5.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.207 -171.462 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 64.7 t0 -101.56 109.84 60.23 Favored Pre-proline 0 C--N 1.327 -0.396 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.194 167.464 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 130' ' ' PRO . . . . . . . . . . . . . 94.2 Cg_exo -55.3 -31.52 77.18 Favored 'Trans proline' 0 N--CA 1.458 -0.608 0 C-N-CA 121.708 1.605 . . . . 0.0 111.242 -173.351 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 131' ' ' LEU . . . . . . . . . . . . . 96.7 mt -82.78 -2.84 55.61 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.169 -169.38 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 132' ' ' THR . . . . . . . . . . . . . 70.9 p -112.85 10.83 19.13 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.269 -179.079 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 133' ' ' ILE . . . . . . . . . . . . . 94.2 mt -90.51 125.27 43.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.224 179.152 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 134' ' ' THR . . . . . . . . . . . . . 92.7 m -125.19 124.85 42.63 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.264 -0.425 . . . . 0.0 111.312 178.538 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 135' ' ' SER . . . . . . . . . . . . . 85.0 p -95.11 163.04 13.46 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.31 -0.404 . . . . 0.0 111.166 178.512 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 136' ' ' SER . . . . . . . . . . . . . 44.5 t -153.61 114.61 4.1 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.152 -0.477 . . . . 0.0 111.202 175.664 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 137' ' ' LEU . . . . . . . . . . . . . 50.1 tp -101.69 110.75 22.8 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.249 -175.671 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 138' ' ' SER . . . . . 0.629 ' HG ' ' H ' ' A' ' 140' ' ' ASP . 33.3 t -82.74 143.05 31.15 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.267 171.136 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 139' ' ' SER . . . . . . . . . . . . . 88.5 p -72.46 -10.92 60.39 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.212 179.007 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 140' ' ' ASP . . . . . 0.629 ' H ' ' HG ' ' A' ' 138' ' ' SER . 94.0 m-20 -81.62 -18.23 45.42 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.192 177.971 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 141' ' ' GLY . . . . . . . . . . . . . . . 112.77 11.63 14.14 Favored Glycine 0 CA--C 1.524 0.602 0 N-CA-C 111.326 -0.71 . . . . 0.0 111.326 179.338 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 142' ' ' VAL . . . . . . . . . . . . . 48.9 t -94.76 79.56 1.2 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.241 0 CA-C-O 120.767 0.318 . . . . 0.0 111.259 176.844 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 143' ' ' LEU . . . . . . . . . . . . . 60.0 tp -88.63 124.77 34.39 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.147 176.313 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 144' ' ' THR . . . . . . . . . . . . . 91.5 m -127.37 124.09 37.78 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.176 -177.788 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 145' ' ' VAL . . . . . . . . . . . . . 60.2 t -118.6 118.82 59.2 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.229 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.104 174.728 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 146' ' ' ASP . . . . . 0.434 ' C ' ' OD1' ' A' ' 146' ' ' ASP . 20.7 p30 -134.86 160.89 36.8 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.235 -170.259 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 147' ' ' GLY . . . . . . . . . . . . . . . 176.8 133.8 1.87 Allowed Glycine 0 CA--C 1.524 0.647 0 N-CA-C 111.303 -0.719 . . . . 0.0 111.303 -177.983 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 148' ' ' PRO . . . . . . . . . . . . . 51.9 Cg_exo -58.83 148.33 84.26 Favored 'Trans proline' 0 N--CA 1.457 -0.665 0 C-N-CA 121.782 1.655 . . . . 0.0 111.161 177.639 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 149' ' ' ARG . . . . . . . . . . . . . 34.9 ptt180 -141.48 174.16 10.82 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.233 173.448 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 150' ' ' LYS . . . . . . . . . . . . . 93.2 mttt -89.06 -0.94 57.85 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.282 -171.218 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 151' ' ' GLN . . . . . . . . . . . . . 73.6 tp60 -57.06 -36.75 70.9 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.16 -176.431 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 152' ' ' VAL . . . . . . . . . . . . . 14.9 p . . . . . 0 C--O 1.221 -0.407 0 CA-C-O 117.79 -1.1 . . . . 0.0 111.03 175.696 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' B' B ' 64' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.522 0.508 0 N-CA-C 111.181 -0.768 . . . . 0.0 111.181 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' B' B ' 65' ' ' LEU . . . . . . . . . . . . . 95.2 mt -90.15 -14.98 32.46 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-O 120.823 0.344 . . . . 0.0 111.237 179.997 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 66' ' ' SER . . . . . . . . . . . . . 92.8 p -75.85 160.44 29.94 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.206 179.916 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 67' ' ' GLU . . . . . . . . . . . . . 79.8 mm-40 -123.79 -8.45 7.86 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.095 -179.184 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 68' ' ' MET . . . . . . . . . . . . . 59.9 ttm -73.04 123.48 23.62 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.222 177.672 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 69' ' ' ARG . . . . . . . . . . . . . 78.2 ttt180 -121.92 115.04 21.86 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.239 175.056 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 70' ' ' LEU . . . . . . . . . . . . . 62.4 tp -78.04 105.84 9.52 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.255 178.761 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 71' ' ' GLU . . . . . 0.533 ' O ' ' C ' ' B' ' 72' ' ' LYS . 80.9 mm-40 -70.79 -177.63 1.64 Allowed 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.244 167.018 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 72' ' ' LYS . . . . . 0.533 ' C ' ' O ' ' B' ' 71' ' ' GLU . 88.0 tttt -27.25 -61.6 0.09 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.192 -176.352 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 73' ' ' ASP . . . . . . . . . . . . . 58.0 p-10 -144.56 44.55 1.39 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.27 -177.555 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 74' ' ' ARG . . . . . . . . . . . . . 20.6 ptp180 -178.58 144.25 0.28 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.195 -178.04 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 75' ' ' PHE . . . . . 0.425 ' CD1' ' C ' ' B' ' 75' ' ' PHE . 7.6 p90 -108.48 155.5 20.54 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.109 -172.985 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 76' ' ' SER . . . . . . . . . . . . . 38.2 t -138.18 126.08 22.55 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.091 -0.504 . . . . 0.0 111.174 174.084 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 77' ' ' VAL . . . . . . . . . . . . . 64.2 t -98.82 109.81 24.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.172 -174.361 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 78' ' ' ASN . . . . . . . . . . . . . 62.2 t-20 -84.74 85.54 7.43 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.254 -178.841 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 79' ' ' LEU . . . . . . . . . . . . . 75.0 mt -77.84 135.65 37.96 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.166 -172.86 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 80' ' ' ASP . . . . . . . . . . . . . 66.0 t0 -91.1 117.66 29.78 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.112 -0.494 . . . . 0.0 111.215 -177.896 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 81' ' ' VAL . . . . . . . . . . . . . 87.3 t -107.11 114.62 46.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.25 175.966 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 82' ' ' LYS . . . . . . . . . . . . . 88.1 tttt -106.54 93.65 4.71 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.244 -173.81 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 83' ' ' HIS . . . . . . . . . . . . . 79.5 m-70 62.01 49.93 4.35 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.149 174.953 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 84' ' ' PHE . . . . . 0.4 ' HA ' ' HB2' ' B' ' 104' ' ' HIS . 91.7 m-85 -120.1 149.41 42.25 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.203 172.344 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 85' ' ' SER . . . . . 0.427 ' O ' ' HG ' ' B' ' 89' ' ' LEU . 67.5 m -91.8 137.47 25.44 Favored Pre-proline 0 C--N 1.33 -0.24 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.129 -178.811 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 86' ' ' PRO . . . . . . . . . . . . . 55.7 Cg_endo -67.82 -15.69 44.5 Favored 'Trans proline' 0 N--CA 1.459 -0.556 0 C-N-CA 121.721 1.614 . . . . 0.0 111.179 179.763 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 87' ' ' GLU . . . . . . . . . . . . . 99.1 mt-10 -78.6 -14.96 59.06 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.278 172.397 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 88' ' ' GLU . . . . . . . . . . . . . 73.4 mt-10 -120.68 -4.56 9.75 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.205 -179.235 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 89' ' ' LEU . . . . . 0.427 ' HG ' ' O ' ' B' ' 85' ' ' SER . 92.0 mt -82.3 140.14 33.76 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.191 170.224 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 90' ' ' LYS . . . . . . . . . . . . . 97.9 mttt -134.68 64.9 1.58 Allowed 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.147 -179.319 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 91' ' ' VAL . . . . . . . . . . . . . 13.1 p -60.05 135.25 24.89 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.242 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.32 178.236 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 92' ' ' LYS . . . . . 0.421 ' O ' ' N ' ' B' ' 99' ' ' GLU . 86.9 tttt -153.64 156.61 38.24 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.223 -172.972 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 93' ' ' VAL . . . . . . . . . . . . . 33.6 m -124.3 160.68 28.41 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.279 -0.419 . . . . 0.0 111.268 167.546 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 94' ' ' LEU . . . . . . . . . . . . . 25.2 tp -144.91 70.68 1.28 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.206 177.824 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 95' ' ' GLY . . . . . . . . . . . . . . . 82.28 -103.23 2.37 Favored Glycine 0 CA--C 1.523 0.571 0 N-CA-C 111.161 -0.775 . . . . 0.0 111.161 179.618 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 96' ' ' ASP . . . . . . . . . . . . . 51.2 p-10 -103.48 21.37 16.16 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.769 0.318 . . . . 0.0 111.174 -177.399 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 97' ' ' VAL . . . . . 0.434 ' HA ' ' HA ' ' B' ' 123' ' ' ARG . 33.9 m -131.23 162.32 39.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.142 171.701 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 98' ' ' ILE . . . . . . . . . . . . . 63.3 mt -118.1 94.5 3.11 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.234 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.276 172.823 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 99' ' ' GLU . . . . . 0.421 ' N ' ' O ' ' B' ' 92' ' ' LYS . 57.1 mt-10 -72.39 78.91 1.02 Allowed 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.18 -176.005 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 100' ' ' VAL . . . . . 0.422 ' HB ' ' HB2' ' B' ' 120' ' ' ARG . 47.9 t -76.84 77.83 0.63 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.368 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.208 -178.223 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 101' ' ' HIS . . . . . . . . . . . . . 63.7 t-80 -81.4 151.15 28.05 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.158 176.064 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 102' ' ' GLY . . . . . . . . . . . . . . . -179.24 160.96 26.76 Favored Glycine 0 CA--C 1.524 0.611 0 N-CA-C 111.216 -0.754 . . . . 0.0 111.216 177.244 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 103' ' ' LYS . . . . . 0.441 ' HA ' ' O ' ' B' ' 116' ' ' ARG . 64.2 pttt -156.15 151.89 27.24 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.658 0.266 . . . . 0.0 111.267 176.482 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 104' ' ' HIS . . . . . 0.4 ' HB2' ' HA ' ' B' ' 84' ' ' PHE . 26.7 t-80 -129.72 115.31 17.14 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.211 161.866 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 105' ' ' GLU . . . . . 0.561 ' O ' ' C ' ' B' ' 106' ' ' GLU . 98.2 mt-10 -66.59 -175.57 0.39 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.141 -177.339 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 106' ' ' GLU . . . . . 0.561 ' C ' ' O ' ' B' ' 105' ' ' GLU . 99.2 mt-10 -25.56 116.42 0.06 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.21 -170.988 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 107' ' ' ARG . . . . . . . . . . . . . 54.0 ttp180 -134.83 74.64 1.53 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.272 -161.648 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 108' ' ' GLN . . . . . . . . . . . . . 73.6 tp60 -45.3 109.42 0.17 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.208 178.284 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 109' ' ' ASP . . . . . . . . . . . . . 14.4 t0 -164.15 -136.77 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.116 -172.553 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 110' ' ' GLU . . . . . . . . . . . . . 99.8 mt-10 -46.34 -64.49 0.74 Allowed 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.172 -178.282 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 111' ' ' HIS . . . . . . . . . . . . . 69.6 m80 -111.26 79.74 1.24 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.163 -0.472 . . . . 0.0 111.189 -176.005 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 112' ' ' GLY . . . . . . . . . . . . . . . 55.37 -134.02 49.01 Favored Glycine 0 CA--C 1.522 0.512 0 N-CA-C 111.266 -0.734 . . . . 0.0 111.266 -178.477 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 113' ' ' PHE . . . . . 0.477 ' O ' ' N ' ' A' ' 121' ' ' LYS . 97.3 m-85 -89.37 130.13 35.79 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.824 0.345 . . . . 0.0 111.049 172.469 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 114' ' ' ILE . . . . . . . . . . . . . 5.0 mp -118.65 99.27 7.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.19 -178.59 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 115' ' ' SER . . . . . . . . . . . . . 46.1 t -93.04 94.17 8.73 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.228 175.145 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 116' ' ' ARG . . . . . 0.441 ' O ' ' HA ' ' B' ' 103' ' ' LYS . 42.4 ttm180 -121.44 104.44 9.68 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.166 -162.661 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 117' ' ' GLU . . . . . . . . . . . . . 86.1 tt0 -101.63 121.06 41.31 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.203 175.389 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 118' ' ' PHE . . . . . 0.425 ' HA ' ' HA ' ' A' ' 116' ' ' ARG . 39.6 p90 -124.79 165.98 17.02 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.233 -171.784 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 119' ' ' HIS . . . . . . . . . . . . . 19.2 t-160 -148.03 81.55 1.49 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.287 -0.415 . . . . 0.0 111.212 -179.886 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 120' ' ' ARG . . . . . 0.422 ' HB2' ' HB ' ' B' ' 100' ' ' VAL . 87.6 mtm180 -86.01 81.98 8.28 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.161 -173.808 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 121' ' ' LYS . . . . . 0.486 ' N ' ' O ' ' A' ' 113' ' ' PHE . 41.8 ttmt -68.59 78.95 0.28 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.257 -179.05 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 122' ' ' TYR . . . . . . . . . . . . . 3.3 t80 -72.48 110.11 6.64 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.321 -176.421 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 123' ' ' ARG . . . . . 0.434 ' HA ' ' HA ' ' B' ' 97' ' ' VAL . 50.4 ttt180 -94.0 143.61 26.2 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.274 -159.485 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 124' ' ' ILE . . . . . . . . . . . . . 13.3 mt -109.95 136.54 20.4 Favored Pre-proline 0 C--N 1.33 -0.267 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.147 -176.41 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 125' ' ' PRO . . . . . . . . . . . . . 71.6 Cg_exo -46.37 153.35 1.15 Allowed 'Trans proline' 0 N--CA 1.458 -0.582 0 C-N-CA 121.63 1.553 . . . . 0.0 111.201 165.706 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 126' ' ' ALA . . . . . . . . . . . . . . . -77.41 7.57 5.22 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.049 -167.069 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 127' ' ' ASP . . . . . . . . . . . . . 95.0 m-20 -84.0 -8.17 59.21 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.333 -0.394 . . . . 0.0 111.226 -179.397 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 128' ' ' VAL . . . . . . . . . . . . . 10.6 p -78.83 150.18 5.36 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.234 -171.504 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 129' ' ' ASP . . . . . . . . . . . . . 64.8 t0 -101.39 109.81 59.89 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.21 167.511 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 130' ' ' PRO . . . . . . . . . . . . . 93.3 Cg_exo -55.43 -31.47 77.93 Favored 'Trans proline' 0 N--CA 1.458 -0.604 0 C-N-CA 121.667 1.578 . . . . 0.0 111.129 -173.315 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 131' ' ' LEU . . . . . . . . . . . . . 96.8 mt -82.68 -2.9 55.43 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.178 -169.444 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 132' ' ' THR . . . . . . . . . . . . . 69.7 p -112.92 10.78 19.01 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.196 -178.931 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 133' ' ' ILE . . . . . . . . . . . . . 94.4 mt -90.51 125.34 43.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.193 179.188 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 134' ' ' THR . . . . . . . . . . . . . 92.9 m -125.34 124.9 42.56 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.219 178.576 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 135' ' ' SER . . . . . . . . . . . . . 85.3 p -95.15 163.15 13.41 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.183 178.505 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 136' ' ' SER . . . . . . . . . . . . . 44.5 t -153.55 114.54 4.1 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.204 175.71 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 137' ' ' LEU . . . . . . . . . . . . . 49.9 tp -101.64 110.75 22.81 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.207 -175.697 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 138' ' ' SER . . . . . . . . . . . . . 32.9 t -82.76 143.15 31.06 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.208 171.156 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 139' ' ' SER . . . . . . . . . . . . . 88.9 p -72.51 -10.83 60.27 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.218 179.017 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 140' ' ' ASP . . . . . . . . . . . . . 93.7 m-20 -81.68 -18.26 45.12 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.134 -0.484 . . . . 0.0 111.215 177.899 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 141' ' ' GLY . . . . . . . . . . . . . . . 112.85 11.61 13.99 Favored Glycine 0 CA--C 1.523 0.539 0 N-CA-C 111.268 -0.733 . . . . 0.0 111.268 179.309 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 142' ' ' VAL . . . . . . . . . . . . . 48.9 t -94.74 79.5 1.2 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-O 120.789 0.328 . . . . 0.0 111.208 176.889 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 143' ' ' LEU . . . . . . . . . . . . . 59.7 tp -88.61 124.63 34.25 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.129 176.295 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 144' ' ' THR . . . . . . . . . . . . . 92.0 m -127.24 124.16 38.21 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.144 -177.82 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 145' ' ' VAL . . . . . . . . . . . . . 60.8 t -118.67 118.82 59.15 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.208 174.617 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 146' ' ' ASP . . . . . 0.431 ' C ' ' OD1' ' B' ' 146' ' ' ASP . 20.8 p30 -134.87 160.75 37.25 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.23 -170.045 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 147' ' ' GLY . . . . . . . . . . . . . . . 176.87 133.95 1.9 Allowed Glycine 0 CA--C 1.523 0.567 0 N-CA-C 111.212 -0.755 . . . . 0.0 111.212 -178.031 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 148' ' ' PRO . . . . . . . . . . . . . 52.1 Cg_exo -58.92 148.38 84.77 Favored 'Trans proline' 0 N--CA 1.458 -0.604 0 C-N-CA 121.772 1.648 . . . . 0.0 111.147 177.515 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 149' ' ' ARG . . . . . . . . . . . . . 34.8 ptt180 -141.49 174.05 10.92 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.185 173.534 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 150' ' ' LYS . . . . . . . . . . . . . 93.2 mttt -89.1 -0.83 57.76 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.338 -171.278 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 151' ' ' GLN . . . . . . . . . . . . . 73.6 tp60 -57.14 -36.68 71.01 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.076 -0.511 . . . . 0.0 111.188 -176.468 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 152' ' ' VAL . . . . . . . . . . . . . 14.9 p . . . . . 0 C--O 1.219 -0.502 0 CA-C-O 117.838 -1.077 . . . . 0.0 111.2 175.575 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.523 0.554 0 N-CA-C 111.181 -0.768 . . . . 0.0 111.181 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 90.5 mt -93.26 153.0 18.84 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.786 0.327 . . . . 0.0 111.207 -179.482 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 74.6 m -75.43 153.85 37.42 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.285 179.372 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 63.4 mt-10 -127.61 57.66 1.51 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.253 179.353 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 68' ' ' MET . . . . . . . . . . . . . 55.2 ttp -73.01 119.87 17.85 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.163 172.226 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 37.7 ptt180 -163.71 153.49 14.89 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.243 178.118 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 49.2 tp -100.11 115.95 30.99 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.234 166.005 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 71' ' ' GLU . . . . . 0.472 ' O ' ' C ' ' A' ' 72' ' ' LYS . 98.5 mt-10 -71.41 -175.93 1.39 Allowed 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.087 -0.506 . . . . 0.0 111.325 173.88 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 72' ' ' LYS . . . . . 0.472 ' C ' ' O ' ' A' ' 71' ' ' GLU . 88.0 tttt -27.54 -58.99 0.1 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.136 174.041 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 56.5 p-10 -152.82 56.68 0.79 Allowed 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.3 170.225 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 35.0 tpt85 -160.22 106.81 1.57 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.169 -173.034 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 75' ' ' PHE . . . . . . . . . . . . . 77.1 t80 -97.28 130.06 44.51 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.186 -174.781 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 95.3 p -139.79 154.04 47.27 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.282 -0.417 . . . . 0.0 111.184 -178.213 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 95.2 t -133.12 98.21 2.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.245 175.606 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 48.3 t30 -91.58 112.64 24.65 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.26 174.331 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -130.37 159.0 38.32 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.135 -172.555 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 63.6 t0 -90.16 121.48 32.24 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.213 -172.611 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 29.5 m -144.02 31.35 0.25 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.312 173.765 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 98.8 mttt -89.37 45.28 1.27 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.051 -0.522 . . . . 0.0 111.208 -166.863 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 95.5 m-70 -141.32 -5.2 1.1 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.288 179.88 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 84' ' ' PHE . . . . . 0.474 ' CD1' ' HB2' ' A' ' 104' ' ' HIS . 14.0 p90 -155.88 179.18 9.45 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.241 -172.429 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 65.1 m -98.73 158.96 31.53 Favored Pre-proline 0 C--N 1.328 -0.332 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.181 -160.64 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 59.2 Cg_endo -65.29 -15.78 51.59 Favored 'Trans proline' 0 N--CA 1.458 -0.569 0 C-N-CA 121.664 1.576 . . . . 0.0 111.148 173.472 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 98.6 mt-10 -91.03 -22.6 20.69 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.105 174.813 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 45.1 tp10 -75.05 -35.7 61.87 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.183 173.934 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 3.9 pp -99.47 149.25 23.4 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.285 -177.1 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 98.4 mttt -125.49 88.45 2.87 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.268 -179.923 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 96.7 t -69.76 116.96 11.81 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.398 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.237 175.409 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 98.3 mttt -130.63 169.79 15.16 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.304 -0.407 . . . . 0.0 111.271 177.578 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 93' ' ' VAL . . . . . 0.433 ' HA ' ' HA ' ' A' ' 98' ' ' ILE . 34.9 m -113.77 159.15 13.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.282 -0.417 . . . . 0.0 111.23 166.789 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 26.7 tp -142.17 66.45 1.34 Allowed 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.147 176.989 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 74.03 -103.34 1.46 Allowed Glycine 0 CA--C 1.522 0.484 0 N-CA-C 111.23 -0.748 . . . . 0.0 111.23 174.283 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 92.8 m-20 -79.51 -14.43 58.88 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.77 0.319 . . . . 0.0 111.144 -176.369 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 97' ' ' VAL . . . . . 0.499 ' HA ' ' HA ' ' A' ' 123' ' ' ARG . 34.7 m -123.77 175.92 5.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.237 -177.565 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 98' ' ' ILE . . . . . 0.433 ' HA ' ' HA ' ' A' ' 93' ' ' VAL . 83.7 mt -121.49 94.15 2.83 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.4 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.215 178.554 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 88.5 tt0 -73.16 78.29 1.27 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.275 -171.773 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 100' ' ' VAL . . . . . . . . . . . . . 94.8 t -68.54 87.53 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.245 173.723 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 101' ' ' HIS . . . . . . . . . . . . . 13.5 t-160 -87.39 64.59 8.29 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.209 -175.36 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . -86.05 168.3 40.81 Favored Glycine 0 CA--C 1.524 0.6 0 N-CA-C 111.28 -0.728 . . . . 0.0 111.28 177.49 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 64.6 pttt -164.21 161.57 22.16 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 120.856 0.36 . . . . 0.0 111.22 176.731 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 104' ' ' HIS . . . . . 0.474 ' HB2' ' CD1' ' A' ' 84' ' ' PHE . 1.5 t-80 -134.02 102.15 5.31 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.14 164.206 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 96.4 mt-10 -88.13 157.08 18.94 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.204 -179.472 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 94.5 mt-10 48.23 49.85 17.12 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.212 -174.755 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 74.7 ttt-85 -86.4 82.63 7.9 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.198 -171.329 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 108' ' ' GLN . . . . . . . . . . . . . 73.1 tp60 -56.51 124.15 17.23 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.13 -0.487 . . . . 0.0 111.137 177.084 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 14.4 t0 -150.13 175.94 11.28 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.238 -179.546 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 51.2 tp10 -52.03 -33.73 40.0 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.246 179.686 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 111' ' ' HIS . . . . . . . . . . . . . 85.3 m-70 -131.33 67.77 1.51 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.29 -175.649 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . -160.34 -137.84 2.31 Favored Glycine 0 CA--C 1.524 0.634 0 N-CA-C 111.135 -0.786 . . . . 0.0 111.135 179.657 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 113' ' ' PHE . . . . . . . . . . . . . 46.9 p90 -76.84 167.38 21.92 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.783 0.325 . . . . 0.0 111.257 9.519 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 114' ' ' ILE . . . . . . . . . . . . . 38.1 pt -128.89 177.29 6.51 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.172 -176.639 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 115' ' ' SER . . . . . 0.448 ' O ' ' HA ' ' B' ' 118' ' ' PHE . 48.0 t -138.44 110.05 7.07 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.219 171.95 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 116' ' ' ARG . . . . . . . . . . . . . 59.5 ttp180 -105.97 88.4 2.8 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.208 -170.23 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 81.8 tt0 -105.73 114.81 29.19 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.192 -176.983 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 118' ' ' PHE . . . . . 0.446 ' HA ' ' O ' ' B' ' 115' ' ' SER . 27.8 p90 -121.57 161.36 22.52 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.305 -0.407 . . . . 0.0 111.224 -172.202 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 119' ' ' HIS . . . . . . . . . . . . . 13.4 m80 -131.36 65.99 1.55 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.194 178.362 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 98.9 mtt180 -75.86 96.27 3.67 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.206 -161.908 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 121' ' ' LYS . . . . . . . . . . . . . 98.3 mttt -86.37 76.7 9.62 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.134 -171.595 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 122' ' ' TYR . . . . . . . . . . . . . 97.8 m-85 -64.38 109.98 2.11 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.244 -178.346 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 123' ' ' ARG . . . . . 0.499 ' HA ' ' HA ' ' A' ' 97' ' ' VAL . 56.1 ttt180 -76.81 129.73 36.66 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.092 -166.662 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 124' ' ' ILE . . . . . . . . . . . . . 76.0 mt -82.08 122.77 79.9 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.189 -173.068 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 125' ' ' PRO . . . . . . . . . . . . . 86.4 Cg_exo -49.7 140.48 29.42 Favored 'Trans proline' 0 N--CA 1.458 -0.568 0 C-N-CA 121.773 1.649 . . . . 0.0 111.139 172.917 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . -59.49 -15.78 20.01 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.065 -0.516 . . . . 0.0 111.277 -176.906 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 127' ' ' ASP . . . . . . . . . . . . . 85.1 m-20 -95.12 9.19 40.51 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.19 -177.419 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 128' ' ' VAL . . . . . . . . . . . . . 97.8 t -123.35 133.29 69.56 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 CA-C-N 116.235 -0.438 . . . . 0.0 111.198 -175.962 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 65.5 t0 -87.5 118.79 70.3 Favored Pre-proline 0 C--N 1.328 -0.344 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.205 -179.27 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 130' ' ' PRO . . . . . . . . . . . . . 88.6 Cg_exo -52.71 -32.32 54.7 Favored 'Trans proline' 0 N--CA 1.456 -0.714 0 C-N-CA 121.664 1.576 . . . . 0.0 111.205 -179.271 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 131' ' ' LEU . . . . . . . . . . . . . 95.7 mt -72.16 -21.03 61.51 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.229 -171.949 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 132' ' ' THR . . . . . . . . . . . . . 59.6 p -88.68 -2.2 58.47 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.227 -177.817 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 133' ' ' ILE . . . . . . . . . . . . . 89.2 mt -95.81 120.07 44.71 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.147 -173.931 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 134' ' ' THR . . . . . . . . . . . . . 89.0 m -132.91 136.53 46.21 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.161 179.907 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 135' ' ' SER . . . . . . . . . . . . . 83.8 p -81.74 157.45 24.54 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.131 -177.35 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 136' ' ' SER . . . . . . . . . . . . . 44.4 t -150.68 139.5 20.83 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.176 172.181 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 137' ' ' LEU . . . . . . . . . . . . . 7.7 tt -135.47 139.91 44.42 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.204 -171.497 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 138' ' ' SER . . . . . 0.649 ' HG ' ' H ' ' A' ' 142' ' ' VAL . 27.4 p -107.08 174.19 6.0 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.171 -176.264 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 139' ' ' SER . . . . . . . . . . . . . 86.4 p -67.63 -19.3 65.2 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.215 178.439 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 140' ' ' ASP . . . . . . . . . . . . . 88.1 m-20 -87.01 -13.08 45.49 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.211 178.298 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 141' ' ' GLY . . . . . . . . . . . . . . . 97.38 20.52 22.45 Favored Glycine 0 CA--C 1.524 0.607 0 N-CA-C 111.128 -0.789 . . . . 0.0 111.128 -179.723 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 142' ' ' VAL . . . . . 0.649 ' H ' ' HG ' ' A' ' 138' ' ' SER . 64.2 t -77.61 88.85 1.01 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-O 120.723 0.296 . . . . 0.0 111.252 179.181 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 143' ' ' LEU . . . . . . . . . . . . . 62.6 tp -96.34 122.98 39.8 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.219 -176.11 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 144' ' ' THR . . . . . . . . . . . . . 90.4 m -130.16 119.48 23.06 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.124 179.342 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 145' ' ' VAL . . . . . . . . . . . . . 43.7 t -107.97 102.94 14.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.233 179.25 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 146' ' ' ASP . . . . . . . . . . . . . 4.0 p30 -142.86 138.48 30.31 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.156 -158.393 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 147' ' ' GLY . . . . . . . . . . . . . . . -147.01 137.83 6.92 Favored Glycine 0 CA--C 1.522 0.49 0 N-CA-C 111.265 -0.734 . . . . 0.0 111.265 174.44 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 148' ' ' PRO . . . . . . . . . . . . . 75.3 Cg_exo -57.48 151.72 51.88 Favored 'Trans proline' 0 N--CA 1.457 -0.649 0 C-N-CA 121.73 1.62 . . . . 0.0 111.225 -179.754 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 149' ' ' ARG . . . . . . . . . . . . . 74.7 ttt180 -48.95 151.73 1.19 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.189 175.378 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 150' ' ' LYS . . . . . . . . . . . . . 59.4 pttt -64.98 -15.56 62.4 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.251 -176.109 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 151' ' ' GLN . . . . . . . . . . . . . 99.3 mm-40 -87.75 -1.52 58.02 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.154 -179.674 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 152' ' ' VAL . . . . . . . . . . . . . 87.0 t . . . . . 0 C--O 1.221 -0.436 0 CA-C-O 118.191 -0.909 . . . . 0.0 111.214 179.159 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' B' B ' 64' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.522 0.49 0 N-CA-C 111.178 -0.769 . . . . 0.0 111.178 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' B' B ' 65' ' ' LEU . . . . . . . . . . . . . 90.3 mt -93.25 153.12 18.77 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.763 0.316 . . . . 0.0 111.191 -179.439 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 66' ' ' SER . . . . . . . . . . . . . 75.0 m -75.67 153.96 36.83 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.223 179.426 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 67' ' ' GLU . . . . . . . . . . . . . 63.5 mt-10 -127.72 57.6 1.52 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.185 179.514 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 68' ' ' MET . . . . . . . . . . . . . 55.2 ttp -72.94 119.73 17.58 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.163 172.228 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 69' ' ' ARG . . . . . . . . . . . . . 37.8 ptt180 -163.72 153.55 14.94 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.191 178.072 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 70' ' ' LEU . . . . . . . . . . . . . 48.9 tp -100.02 115.99 31.02 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.212 166.151 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 71' ' ' GLU . . . . . 0.486 ' O ' ' C ' ' B' ' 72' ' ' LYS . 98.6 mt-10 -71.55 -175.98 1.45 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.266 174.011 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 72' ' ' LYS . . . . . 0.486 ' C ' ' O ' ' B' ' 71' ' ' GLU . 88.1 tttt -27.54 -58.89 0.1 Allowed 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.205 173.971 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 73' ' ' ASP . . . . . . . . . . . . . 56.4 p-10 -152.87 56.73 0.79 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.172 170.275 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 74' ' ' ARG . . . . . . . . . . . . . 34.8 tpt85 -160.3 106.8 1.55 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.315 -0.402 . . . . 0.0 111.126 -173.019 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 75' ' ' PHE . . . . . . . . . . . . . 77.9 t80 -97.26 129.9 44.52 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.307 -174.839 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 76' ' ' SER . . . . . . . . . . . . . 97.3 p -139.8 154.08 47.27 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.313 -0.403 . . . . 0.0 111.158 -178.212 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 77' ' ' VAL . . . . . . . . . . . . . 96.2 t -133.1 98.19 2.74 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-N 116.112 -0.494 . . . . 0.0 111.249 175.681 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 78' ' ' ASN . . . . . . . . . . . . . 48.2 t30 -91.56 112.76 24.81 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.25 174.273 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 79' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -130.47 158.87 38.74 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.258 -172.577 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 80' ' ' ASP . . . . . . . . . . . . . 63.6 t0 -90.06 121.52 32.21 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.214 -172.49 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 81' ' ' VAL . . . . . . . . . . . . . 30.6 m -144.09 31.4 0.25 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.182 173.77 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 82' ' ' LYS . . . . . . . . . . . . . 98.8 mttt -89.23 45.02 1.25 Allowed 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.209 -166.866 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 83' ' ' HIS . . . . . . . . . . . . . 95.6 m-70 -141.2 -5.15 1.12 Allowed 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.297 179.9 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 84' ' ' PHE . . . . . 0.475 ' CD1' ' HB2' ' B' ' 104' ' ' HIS . 13.7 p90 -155.92 179.22 9.42 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.252 -172.441 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 85' ' ' SER . . . . . . . . . . . . . 65.4 m -98.7 159.05 31.37 Favored Pre-proline 0 C--N 1.327 -0.401 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.23 -160.65 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 86' ' ' PRO . . . . . . . . . . . . . 59.2 Cg_endo -65.35 -15.84 51.71 Favored 'Trans proline' 0 C--N 1.328 -0.521 0 C-N-CA 121.666 1.578 . . . . 0.0 111.208 173.514 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 87' ' ' GLU . . . . . . . . . . . . . 98.6 mt-10 -90.98 -22.58 20.74 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.073 -0.512 . . . . 0.0 111.155 174.775 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 88' ' ' GLU . . . . . . . . . . . . . 45.3 tp10 -74.97 -35.7 62.06 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.24 173.944 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 89' ' ' LEU . . . . . . . . . . . . . 3.9 pp -99.47 149.23 23.42 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.207 -176.981 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 90' ' ' LYS . . . . . . . . . . . . . 98.5 mttt -125.6 88.48 2.87 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.136 -179.928 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 91' ' ' VAL . . . . . . . . . . . . . 96.9 t -69.75 117.11 12.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.169 175.336 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 92' ' ' LYS . . . . . . . . . . . . . 98.3 mttt -130.77 169.74 15.3 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.203 177.611 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 93' ' ' VAL . . . . . 0.458 ' HA ' ' HA ' ' B' ' 98' ' ' ILE . 34.9 m -113.82 159.08 13.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.18 166.844 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 94' ' ' LEU . . . . . . . . . . . . . 27.0 tp -142.13 66.67 1.34 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.171 176.871 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 95' ' ' GLY . . . . . . . . . . . . . . . 73.92 -103.28 1.44 Allowed Glycine 0 CA--C 1.524 0.616 0 N-CA-C 111.195 -0.762 . . . . 0.0 111.195 174.252 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 96' ' ' ASP . . . . . . . . . . . . . 92.4 m-20 -79.55 -14.47 58.82 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-O 120.78 0.324 . . . . 0.0 111.171 -176.337 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 97' ' ' VAL . . . . . 0.509 ' HA ' ' HA ' ' B' ' 123' ' ' ARG . 34.7 m -123.75 175.8 6.02 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.186 -177.518 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 98' ' ' ILE . . . . . 0.458 ' HA ' ' HA ' ' B' ' 93' ' ' VAL . 83.4 mt -121.47 94.33 2.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.266 -0.424 . . . . 0.0 111.153 178.528 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 99' ' ' GLU . . . . . . . . . . . . . 88.4 tt0 -73.26 78.23 1.31 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.286 -171.864 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 100' ' ' VAL . . . . . . . . . . . . . 94.7 t -68.57 87.63 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.202 173.744 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 101' ' ' HIS . . . . . . . . . . . . . 13.7 t-160 -87.36 64.54 8.29 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.239 -175.425 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 102' ' ' GLY . . . . . . . . . . . . . . . -86.05 168.24 40.76 Favored Glycine 0 CA--C 1.523 0.586 0 N-CA-C 111.351 -0.7 . . . . 0.0 111.351 177.507 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 103' ' ' LYS . . . . . . . . . . . . . 64.6 pttt -164.12 161.55 22.41 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-O 120.816 0.341 . . . . 0.0 111.187 176.827 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 104' ' ' HIS . . . . . 0.475 ' HB2' ' CD1' ' B' ' 84' ' ' PHE . 1.5 t-80 -133.97 102.16 5.32 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.219 164.06 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 105' ' ' GLU . . . . . . . . . . . . . 96.4 mt-10 -88.27 157.02 18.89 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.221 -179.48 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 106' ' ' GLU . . . . . . . . . . . . . 94.6 mt-10 48.33 49.96 17.18 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.222 -174.679 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 107' ' ' ARG . . . . . . . . . . . . . 74.7 ttt-85 -86.48 82.53 7.91 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.273 -171.364 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 108' ' ' GLN . . . . . . . . . . . . . 73.1 tp60 -56.59 124.11 17.16 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.131 177.175 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 109' ' ' ASP . . . . . . . . . . . . . 14.3 t0 -150.07 175.97 11.24 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.218 -179.548 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 110' ' ' GLU . . . . . . . . . . . . . 51.5 tp10 -52.05 -33.75 40.33 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.208 179.726 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 111' ' ' HIS . . . . . . . . . . . . . 85.6 m-70 -131.29 67.83 1.51 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.15 -175.601 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 112' ' ' GLY . . . . . . . . . . . . . . . -160.42 -137.9 2.32 Favored Glycine 0 CA--C 1.524 0.632 0 N-CA-C 111.084 -0.806 . . . . 0.0 111.084 179.623 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 113' ' ' PHE . . . . . . . . . . . . . 47.3 p90 -76.99 167.34 21.99 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.759 0.314 . . . . 0.0 111.201 9.617 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 114' ' ' ILE . . . . . . . . . . . . . 37.8 pt -128.78 177.34 6.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.204 -176.66 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 115' ' ' SER . . . . . 0.446 ' O ' ' HA ' ' A' ' 118' ' ' PHE . 47.8 t -138.39 110.12 7.12 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.103 171.983 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 116' ' ' ARG . . . . . . . . . . . . . 59.4 ttp180 -106.02 88.41 2.8 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.175 -170.369 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 117' ' ' GLU . . . . . . . . . . . . . 81.8 tt0 -105.81 114.79 29.15 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.254 -177.048 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 118' ' ' PHE . . . . . 0.448 ' HA ' ' O ' ' A' ' 115' ' ' SER . 27.9 p90 -121.44 161.45 22.19 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.299 -172.131 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 119' ' ' HIS . . . . . . . . . . . . . 13.2 m80 -131.53 66.07 1.55 Allowed 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.173 178.277 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 120' ' ' ARG . . . . . . . . . . . . . 98.9 mtt180 -75.86 96.3 3.67 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.211 -161.961 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 121' ' ' LYS . . . . . . . . . . . . . 98.3 mttt -86.43 76.9 9.56 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.173 -171.639 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 122' ' ' TYR . . . . . . . . . . . . . 97.7 m-85 -64.55 109.91 2.14 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.168 -178.232 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 123' ' ' ARG . . . . . 0.509 ' HA ' ' HA ' ' B' ' 97' ' ' VAL . 56.3 ttt180 -76.75 129.81 36.82 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.169 -166.675 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 124' ' ' ILE . . . . . . . . . . . . . 76.5 mt -82.13 122.83 79.84 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.108 -173.013 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 125' ' ' PRO . . . . . . . . . . . . . 86.5 Cg_exo -49.8 140.54 30.11 Favored 'Trans proline' 0 N--CA 1.458 -0.57 0 C-N-CA 121.581 1.521 . . . . 0.0 111.219 172.826 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 126' ' ' ALA . . . . . . . . . . . . . . . -59.51 -15.93 21.13 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.092 -0.504 . . . . 0.0 111.162 -176.763 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 127' ' ' ASP . . . . . . . . . . . . . 85.0 m-20 -94.94 9.13 40.48 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.354 -177.545 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 128' ' ' VAL . . . . . . . . . . . . . 96.9 t -123.33 133.37 69.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.134 -175.872 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 129' ' ' ASP . . . . . . . . . . . . . 65.4 t0 -87.61 118.9 70.39 Favored Pre-proline 0 C--N 1.328 -0.338 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.106 -179.281 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 130' ' ' PRO . . . . . . . . . . . . . 88.7 Cg_exo -52.71 -32.36 54.82 Favored 'Trans proline' 0 N--CA 1.458 -0.569 0 C-N-CA 121.698 1.598 . . . . 0.0 111.215 -179.345 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 131' ' ' LEU . . . . . . . . . . . . . 95.6 mt -72.28 -20.99 61.42 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.164 -171.84 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 132' ' ' THR . . . . . . . . . . . . . 57.9 p -88.56 -2.43 58.59 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.264 -177.909 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 133' ' ' ILE . . . . . . . . . . . . . 88.9 mt -95.76 120.07 44.66 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.166 -173.902 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 134' ' ' THR . . . . . . . . . . . . . 88.4 m -132.89 136.6 46.28 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.229 179.816 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 135' ' ' SER . . . . . . . . . . . . . 83.8 p -81.69 157.44 24.61 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.101 -177.302 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 136' ' ' SER . . . . . . . . . . . . . 44.5 t -150.73 139.39 20.67 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.231 172.233 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 137' ' ' LEU . . . . . . . . . . . . . 7.8 tt -135.43 139.88 44.48 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.242 -171.47 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 138' ' ' SER . . . . . 0.561 ' HG ' ' H ' ' B' ' 140' ' ' ASP . 27.0 p -107.12 174.32 5.94 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.134 -176.32 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 139' ' ' SER . . . . . . . . . . . . . 86.1 p -67.75 -19.28 65.1 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.143 178.517 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 140' ' ' ASP . . . . . 0.561 ' H ' ' HG ' ' B' ' 138' ' ' SER . 88.5 m-20 -87.08 -12.97 45.6 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.293 -0.412 . . . . 0.0 111.122 178.348 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 141' ' ' GLY . . . . . . . . . . . . . . . 97.26 20.62 22.48 Favored Glycine 0 CA--C 1.522 0.525 0 N-CA-C 111.247 -0.741 . . . . 0.0 111.247 -179.69 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 142' ' ' VAL . . . . . . . . . . . . . 64.9 t -77.77 88.91 1.04 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-O 120.773 0.32 . . . . 0.0 111.141 179.248 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 143' ' ' LEU . . . . . . . . . . . . . 62.6 tp -96.19 122.92 39.56 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.266 -176.236 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 144' ' ' THR . . . . . . . . . . . . . 89.5 m -130.24 119.63 23.21 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.032 179.319 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 145' ' ' VAL . . . . . . . . . . . . . 44.1 t -108.11 103.05 14.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.12 179.339 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 146' ' ' ASP . . . . . . . . . . . . . 4.0 p30 -142.96 138.54 30.17 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.108 -158.473 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 147' ' ' GLY . . . . . . . . . . . . . . . -146.95 137.91 6.98 Favored Glycine 0 CA--C 1.522 0.511 0 N-CA-C 111.267 -0.733 . . . . 0.0 111.267 174.405 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 148' ' ' PRO . . . . . . . . . . . . . 75.6 Cg_exo -57.43 151.65 51.99 Favored 'Trans proline' 0 N--CA 1.458 -0.609 0 C-N-CA 121.72 1.613 . . . . 0.0 111.248 -179.859 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 149' ' ' ARG . . . . . . . . . . . . . 74.7 ttt180 -48.88 151.76 1.17 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.135 175.327 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 150' ' ' LYS . . . . . . . . . . . . . 59.3 pttt -65.08 -15.54 62.49 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.121 -0.491 . . . . 0.0 111.207 -176.167 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 151' ' ' GLN . . . . . . . . . . . . . 99.3 mm-40 -87.75 -1.4 57.94 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.258 -179.836 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 152' ' ' VAL . . . . . . . . . . . . . 87.5 t . . . . . 0 C--O 1.22 -0.457 0 CA-C-O 117.829 -1.081 . . . . 0.0 111.176 179.13 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.524 0.597 0 N-CA-C 111.239 -0.744 . . . . 0.0 111.239 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 96.7 mt -95.91 -11.01 27.34 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.821 0.344 . . . . 0.0 111.277 178.707 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 89.7 p -134.15 3.45 3.41 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.09 -0.505 . . . . 0.0 111.185 -178.254 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 88.7 tt0 -149.13 134.94 18.83 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.193 179.726 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 68' ' ' MET . . . . . . . . . . . . . 62.0 ttp -74.34 122.23 22.6 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.227 179.391 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 78.9 ttt180 -144.87 148.78 34.33 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.259 -172.27 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 81.7 mt -78.7 138.72 38.4 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.15 173.77 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 68.4 mm-40 -67.13 -175.61 0.46 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.284 165.276 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 87.9 tttt -39.96 -49.19 2.46 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.289 -0.414 . . . . 0.0 111.214 178.229 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 55.4 p-10 -149.93 36.38 0.69 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.207 174.321 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 87.6 mtm180 -141.05 174.35 10.6 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.264 -179.81 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 75' ' ' PHE . . . . . 0.412 ' HB3' ' O ' ' A' ' 147' ' ' GLY . 32.1 t80 -122.38 131.62 53.98 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.202 -178.97 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 96.7 p -142.57 164.31 30.47 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.315 -0.402 . . . . 0.0 111.322 174.738 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 77' ' ' VAL . . . . . 0.546 ' O ' ' CG1' ' A' ' 77' ' ' VAL . 9.8 p -155.71 108.53 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.419 0 CA-C-N 116.33 -0.396 . . . . 0.0 111.234 178.205 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 74.2 m-80 -92.36 117.6 30.08 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.149 -178.843 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 81.8 mt -118.11 150.8 38.74 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.197 -171.401 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 65.7 t0 -86.67 112.73 21.91 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.255 -0.429 . . . . 0.0 111.172 177.138 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 27.0 m -136.25 22.35 0.9 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.291 -177.327 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 88.8 tttt -68.54 -41.7 79.48 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.176 -174.191 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 17.9 p-80 -79.11 -12.96 60.01 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.179 -175.978 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 84' ' ' PHE . . . . . . . . . . . . . 21.5 m-30 -72.61 152.92 41.51 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.251 -0.432 . . . . 0.0 111.264 177.12 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 85' ' ' SER . . . . . 0.442 ' O ' ' N ' ' A' ' 89' ' ' LEU . 72.6 m -100.36 147.81 34.06 Favored Pre-proline 0 C--N 1.328 -0.329 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.273 172.219 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 71.3 Cg_exo -54.22 -32.8 72.48 Favored 'Trans proline' 0 N--CA 1.458 -0.575 0 C-N-CA 121.766 1.644 . . . . 0.0 111.129 177.544 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 99.0 mt-10 -83.24 -19.39 36.5 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.309 -0.405 . . . . 0.0 111.194 -178.816 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 94.8 mt-10 -104.83 -11.49 16.75 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.333 -0.394 . . . . 0.0 111.226 -179.865 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 89' ' ' LEU . . . . . 0.442 ' N ' ' O ' ' A' ' 85' ' ' SER . 46.7 tp -97.29 113.35 24.96 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.292 -175.118 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 97.5 mttt -112.31 147.09 37.05 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.19 174.376 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 6.8 p -131.1 114.68 27.28 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.383 0 CA-C-N 116.067 -0.515 . . . . 0.0 111.199 173.752 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 99.4 mttt -132.65 169.58 16.45 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.234 -172.816 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 34.1 m -124.8 161.54 28.26 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.211 168.153 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 46.7 tp -141.58 82.82 1.83 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.258 177.269 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 79.52 -105.65 2.31 Favored Glycine 0 CA--C 1.523 0.536 0 N-CA-C 111.206 -0.758 . . . . 0.0 111.206 -176.656 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 79.6 m-20 -90.4 -14.26 33.3 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.849 0.357 . . . . 0.0 111.203 169.665 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 97' ' ' VAL . . . . . 0.483 ' HA ' ' HA ' ' A' ' 123' ' ' ARG . 61.7 t -79.43 145.39 9.43 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.284 -173.757 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 98' ' ' ILE . . . . . . . . . . . . . 76.0 mt -110.03 82.79 0.64 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.377 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.252 168.194 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 84.8 tt0 -77.92 92.52 4.29 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.239 -177.322 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 100' ' ' VAL . . . . . 0.486 ' HB ' ' HB2' ' A' ' 120' ' ' ARG . 59.7 t -79.22 95.06 1.91 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.179 173.736 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 101' ' ' HIS . . . . . 0.469 ' O ' ' CD2' ' A' ' 101' ' ' HIS . 6.3 t-160 -89.53 68.69 7.81 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.199 -170.314 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . -85.08 167.41 41.68 Favored Glycine 0 CA--C 1.523 0.582 0 N-CA-C 111.205 -0.758 . . . . 0.0 111.205 179.111 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 61.4 pttt -167.3 148.04 5.53 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.764 0.316 . . . . 0.0 111.157 169.963 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 104' ' ' HIS . . . . . . . . . . . . . 23.8 t-160 -123.0 108.89 13.43 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.205 168.98 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 88.6 mt-10 -93.95 162.73 13.78 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.233 -179.992 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 94.9 mt-10 48.19 57.48 6.09 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.219 -175.428 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 72.8 ttt-85 -104.63 92.0 4.1 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.195 -168.506 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 108' ' ' GLN . . . . . . . . . . . . . 68.4 tp60 -41.05 118.98 1.08 Allowed 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.201 176.966 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 6.2 t0 -116.95 -169.98 1.75 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.105 179.369 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 78.6 mm-40 -83.28 -15.95 48.16 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.151 177.932 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 111' ' ' HIS . . . . . . . . . . . . . 99.0 m-70 -105.55 -16.09 14.81 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.218 179.779 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 167.09 -108.51 0.31 Allowed Glycine 0 CA--C 1.524 0.602 0 N-CA-C 111.189 -0.764 . . . . 0.0 111.189 179.576 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 113' ' ' PHE . . . . . . . . . . . . . 35.5 p90 -150.22 158.03 43.72 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.809 0.338 . . . . 0.0 111.187 159.497 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 114' ' ' ILE . . . . . . . . . . . . . 44.8 pt -129.27 165.3 29.53 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.297 -171.795 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 115' ' ' SER . . . . . 0.452 ' HG ' ' HD1' ' B' ' 119' ' ' HIS . 12.7 t -123.22 115.44 21.74 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.226 164.345 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 116' ' ' ARG . . . . . . . . . . . . . 44.3 ttp180 -119.27 102.49 8.73 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.213 -166.544 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 86.8 tt0 -105.66 129.29 53.92 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.174 -171.298 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 118' ' ' PHE . . . . . . . . . . . . . 68.1 m-85 -108.84 151.78 25.78 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.226 -172.46 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 119' ' ' HIS . . . . . 0.434 ' HB2' ' HB3' ' B' ' 115' ' ' SER . 26.6 m80 -133.09 70.35 1.47 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.158 162.628 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 120' ' ' ARG . . . . . 0.486 ' HB2' ' HB ' ' A' ' 100' ' ' VAL . 99.3 mtt180 -74.58 81.08 1.99 Allowed 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.11 -0.495 . . . . 0.0 111.266 -161.283 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 121' ' ' LYS . . . . . . . . . . . . . 95.1 mttt -75.65 84.61 2.67 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.079 -0.51 . . . . 0.0 111.273 -177.574 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 122' ' ' TYR . . . . . 0.429 ' CZ ' ' HB3' ' A' ' 120' ' ' ARG . 16.2 m-85 -97.97 107.33 19.79 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.275 176.595 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 123' ' ' ARG . . . . . 0.483 ' HA ' ' HA ' ' A' ' 97' ' ' VAL . 59.6 ttt180 -88.11 143.11 27.25 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.123 -161.032 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 124' ' ' ILE . . . . . . . . . . . . . 78.7 mt -73.78 125.01 90.73 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.183 -170.583 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 125' ' ' PRO . . . . . . . . . . . . . 84.3 Cg_exo -50.01 140.83 31.17 Favored 'Trans proline' 0 C--N 1.328 -0.522 0 C-N-CA 121.741 1.627 . . . . 0.0 111.093 174.27 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . -58.0 -21.51 45.2 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.174 -171.676 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 127' ' ' ASP . . . . . . . . . . . . . 93.2 m-20 -100.64 25.91 7.32 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.221 -176.569 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 128' ' ' VAL . . . . . . . . . . . . . 98.8 t -129.26 134.84 63.12 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.368 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.115 178.901 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 64.0 t0 -87.4 115.92 64.4 Favored Pre-proline 0 C--N 1.328 -0.333 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.238 -175.697 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 130' ' ' PRO . . . . . . . . . . . . . 79.8 Cg_exo -55.33 -33.27 84.63 Favored 'Trans proline' 0 N--CA 1.458 -0.611 0 C-N-CA 121.75 1.634 . . . . 0.0 111.173 -177.015 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 131' ' ' LEU . . . . . . . . . . . . . 97.9 mt -85.66 4.98 34.0 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.22 -168.379 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 132' ' ' THR . . . . . . . . . . . . . 73.1 p -115.33 4.17 14.36 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.177 178.162 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 133' ' ' ILE . . . . . . . . . . . . . 95.5 mt -94.04 126.19 46.5 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.152 -175.396 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 134' ' ' THR . . . . . . . . . . . . . 93.6 m -128.05 130.72 48.71 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.237 179.152 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 135' ' ' SER . . . . . . . . . . . . . 85.8 p -83.1 154.54 24.3 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.13 -179.532 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 136' ' ' SER . . . . . . . . . . . . . 43.8 t -146.9 132.49 18.77 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.145 176.486 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 137' ' ' LEU . . . . . . . . . . . . . 63.5 tp -108.47 126.26 52.71 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.157 -178.867 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 138' ' ' SER . . . . . 0.443 ' HG ' ' H ' ' A' ' 142' ' ' VAL . 65.1 p -92.96 165.1 13.03 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.118 -178.797 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 139' ' ' SER . . . . . . . . . . . . . 87.5 p -73.79 -14.38 61.1 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.136 -0.483 . . . . 0.0 111.236 177.058 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 140' ' ' ASP . . . . . . . . . . . . . 92.9 m-20 -85.75 -5.07 59.3 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.184 178.037 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 141' ' ' GLY . . . . . . . . . . . . . . . 84.42 39.73 8.85 Favored Glycine 0 CA--C 1.523 0.555 0 N-CA-C 111.128 -0.789 . . . . 0.0 111.128 179.216 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 142' ' ' VAL . . . . . 0.443 ' H ' ' HG ' ' A' ' 138' ' ' SER . 78.6 t -116.23 121.28 67.18 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-O 120.785 0.326 . . . . 0.0 111.206 175.446 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 143' ' ' LEU . . . . . . . . . . . . . 61.5 tp -97.31 124.99 41.61 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.23 177.587 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 144' ' ' THR . . . . . . . . . . . . . 88.9 m -120.54 107.38 12.78 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.176 -177.557 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 145' ' ' VAL . . . . . . . . . . . . . 46.8 t -103.25 99.65 8.83 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.166 -179.317 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 146' ' ' ASP . . . . . 0.549 ' C ' ' OD1' ' A' ' 146' ' ' ASP . 9.8 t0 -137.22 115.44 11.72 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.139 -155.877 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 147' ' ' GLY . . . . . 0.412 ' O ' ' HB3' ' A' ' 75' ' ' PHE . . . -131.85 156.79 22.1 Favored Glycine 0 CA--C 1.523 0.561 0 N-CA-C 111.182 -0.767 . . . . 0.0 111.182 168.448 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 148' ' ' PRO . . . . . . . . . . . . . 58.0 Cg_endo -70.06 163.37 38.75 Favored 'Trans proline' 0 N--CA 1.456 -0.677 0 C-N-CA 121.72 1.614 . . . . 0.0 111.259 -179.864 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 149' ' ' ARG . . . . . . . . . . . . . 82.1 mtp180 -76.55 -169.2 1.16 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.13 -177.12 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 150' ' ' LYS . . . . . . . . . . . . . 96.2 mttt -95.2 -17.14 22.0 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.221 175.597 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 151' ' ' GLN . . . . . . . . . . . . . 100.0 mm-40 -99.92 -2.84 33.71 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.106 175.051 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 152' ' ' VAL . . . . . . . . . . . . . 13.2 p . . . . . 0 C--O 1.219 -0.505 0 CA-C-O 117.993 -1.003 . . . . 0.0 111.161 178.855 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' B' B ' 64' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.523 0.542 0 N-CA-C 111.121 -0.792 . . . . 0.0 111.121 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' B' B ' 65' ' ' LEU . . . . . . . . . . . . . 96.5 mt -95.9 -10.99 27.38 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 120.845 0.355 . . . . 0.0 111.321 178.616 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 66' ' ' SER . . . . . . . . . . . . . 89.6 p -134.23 3.49 3.39 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.235 -178.27 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 67' ' ' GLU . . . . . . . . . . . . . 88.7 tt0 -149.15 135.11 18.97 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.083 179.608 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 68' ' ' MET . . . . . . . . . . . . . 62.1 ttp -74.4 122.29 22.75 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.129 179.414 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 69' ' ' ARG . . . . . . . . . . . . . 78.9 ttt180 -145.05 148.7 33.99 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.22 -172.204 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 70' ' ' LEU . . . . . . . . . . . . . 82.0 mt -78.74 138.71 38.37 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.275 173.769 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 71' ' ' GLU . . . . . . . . . . . . . 68.5 mm-40 -67.11 -175.6 0.46 Allowed 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.3 165.373 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 72' ' ' LYS . . . . . . . . . . . . . 87.9 tttt -39.91 -49.28 2.43 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.264 178.249 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 73' ' ' ASP . . . . . . . . . . . . . 55.4 p-10 -149.76 36.34 0.71 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.216 174.239 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 74' ' ' ARG . . . . . . . . . . . . . 87.5 mtm180 -140.89 174.31 10.64 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.256 -179.709 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 75' ' ' PHE . . . . . 0.413 ' HB3' ' O ' ' B' ' 147' ' ' GLY . 32.8 t80 -122.45 131.67 53.98 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.206 -179.126 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 76' ' ' SER . . . . . . . . . . . . . 95.2 p -142.59 164.29 30.51 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.296 174.717 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 77' ' ' VAL . . . . . 0.534 ' CG1' ' O ' ' B' ' 77' ' ' VAL . 9.7 p -155.69 108.58 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.221 178.178 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 78' ' ' ASN . . . . . . . . . . . . . 74.3 m-80 -92.45 117.67 30.17 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.19 -178.895 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 79' ' ' LEU . . . . . . . . . . . . . 82.7 mt -118.07 150.85 38.63 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.157 -171.42 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 80' ' ' ASP . . . . . . . . . . . . . 65.7 t0 -86.67 112.72 21.91 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.145 177.09 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 81' ' ' VAL . . . . . . . . . . . . . 27.2 m -136.3 22.44 0.89 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.362 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.274 -177.372 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 82' ' ' LYS . . . . . . . . . . . . . 88.8 tttt -68.55 -41.71 79.44 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.094 -0.503 . . . . 0.0 111.221 -174.223 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 83' ' ' HIS . . . . . . . . . . . . . 17.9 p-80 -79.08 -12.95 60.02 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.198 -176.065 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 84' ' ' PHE . . . . . . . . . . . . . 21.4 m-30 -72.71 153.15 41.3 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.188 177.181 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 85' ' ' SER . . . . . 0.429 ' O ' ' N ' ' B' ' 89' ' ' LEU . 72.4 m -100.45 147.86 34.16 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.167 172.319 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 86' ' ' PRO . . . . . . . . . . . . . 71.0 Cg_exo -54.32 -32.75 73.24 Favored 'Trans proline' 0 N--CA 1.459 -0.535 0 C-N-CA 121.644 1.563 . . . . 0.0 111.166 177.5 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 87' ' ' GLU . . . . . . . . . . . . . 99.0 mt-10 -83.32 -19.13 36.77 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.224 -178.825 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 88' ' ' GLU . . . . . . . . . . . . . 94.9 mt-10 -105.12 -11.49 16.56 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.289 -0.414 . . . . 0.0 111.055 -179.696 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 89' ' ' LEU . . . . . 0.429 ' N ' ' O ' ' B' ' 85' ' ' SER . 47.1 tp -97.23 113.25 24.84 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.327 -175.171 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 90' ' ' LYS . . . . . . . . . . . . . 97.5 mttt -112.42 147.05 37.29 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.322 -0.399 . . . . 0.0 111.261 174.337 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 91' ' ' VAL . . . . . . . . . . . . . 6.7 p -131.02 114.65 27.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.307 173.803 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 92' ' ' LYS . . . . . . . . . . . . . 99.3 mttt -132.63 169.58 16.43 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.318 -0.401 . . . . 0.0 111.204 -172.725 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 93' ' ' VAL . . . . . . . . . . . . . 34.1 m -124.69 161.58 27.95 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.188 168.146 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 94' ' ' LEU . . . . . . . . . . . . . 47.3 tp -141.54 82.82 1.83 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.064 -0.516 . . . . 0.0 111.115 177.294 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 95' ' ' GLY . . . . . . . . . . . . . . . 79.51 -105.7 2.32 Favored Glycine 0 CA--C 1.522 0.519 0 N-CA-C 111.264 -0.734 . . . . 0.0 111.264 -176.593 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 96' ' ' ASP . . . . . . . . . . . . . 79.7 m-20 -90.42 -14.38 33.03 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.695 0.283 . . . . 0.0 111.123 169.697 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 97' ' ' VAL . . . . . 0.494 ' HA ' ' HA ' ' B' ' 123' ' ' ARG . 61.9 t -79.42 145.43 9.38 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.239 -173.725 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 98' ' ' ILE . . . . . . . . . . . . . 76.9 mt -110.1 83.11 0.65 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.148 168.14 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 99' ' ' GLU . . . . . . . . . . . . . 84.6 tt0 -77.98 92.31 4.31 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.245 -177.411 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 100' ' ' VAL . . . . . 0.506 ' HB ' ' HB2' ' B' ' 120' ' ' ARG . 59.7 t -79.12 95.03 1.87 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.241 173.708 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 101' ' ' HIS . . . . . 0.463 ' CD2' ' O ' ' B' ' 101' ' ' HIS . 6.3 t-160 -89.52 68.74 7.84 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.149 -170.297 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 102' ' ' GLY . . . . . . . . . . . . . . . -85.23 167.47 41.47 Favored Glycine 0 CA--C 1.525 0.671 0 N-CA-C 111.092 -0.803 . . . . 0.0 111.092 179.188 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 103' ' ' LYS . . . . . . . . . . . . . 61.5 pttt -167.4 147.92 5.41 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.787 0.327 . . . . 0.0 111.195 170.003 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 104' ' ' HIS . . . . . . . . . . . . . 23.8 t-160 -122.9 108.85 13.44 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.279 168.916 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 105' ' ' GLU . . . . . . . . . . . . . 88.4 mt-10 -93.92 162.69 13.8 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.185 -179.977 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 106' ' ' GLU . . . . . . . . . . . . . 94.8 mt-10 48.28 57.44 6.17 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.234 -175.429 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 107' ' ' ARG . . . . . . . . . . . . . 72.8 ttt-85 -104.62 91.94 4.08 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.245 -168.484 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 108' ' ' GLN . . . . . . . . . . . . . 68.5 tp60 -40.91 118.94 1.05 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.287 -0.415 . . . . 0.0 111.137 176.997 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 109' ' ' ASP . . . . . . . . . . . . . 6.1 t0 -116.91 -170.01 1.75 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.168 179.216 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 110' ' ' GLU . . . . . . . . . . . . . 78.5 mm-40 -83.17 -15.97 48.49 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.359 -0.382 . . . . 0.0 111.315 177.81 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 111' ' ' HIS . . . . . . . . . . . . . 99.1 m-70 -105.57 -16.06 14.81 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.2 179.741 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 112' ' ' GLY . . . . . . . . . . . . . . . 167.13 -108.53 0.31 Allowed Glycine 0 CA--C 1.523 0.553 0 N-CA-C 111.182 -0.767 . . . . 0.0 111.182 179.553 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 113' ' ' PHE . . . . . . . . . . . . . 35.5 p90 -150.2 158.13 43.83 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.829 0.347 . . . . 0.0 111.184 159.428 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 114' ' ' ILE . . . . . . . . . . . . . 44.8 pt -129.35 165.19 29.9 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.196 -171.686 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 115' ' ' SER . . . . . 0.434 ' HB3' ' HB2' ' A' ' 119' ' ' HIS . 12.8 t -123.16 115.51 21.9 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.182 164.262 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 116' ' ' ARG . . . . . . . . . . . . . 44.3 ttp180 -119.28 102.47 8.72 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.186 -166.562 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 117' ' ' GLU . . . . . . . . . . . . . 86.8 tt0 -105.62 129.26 53.9 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.189 -171.307 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 118' ' ' PHE . . . . . . . . . . . . . 67.5 m-85 -108.85 151.77 25.8 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.302 -0.408 . . . . 0.0 111.266 -172.502 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 119' ' ' HIS . . . . . 0.452 ' HD1' ' HG ' ' A' ' 115' ' ' SER . 26.4 m80 -133.0 70.22 1.47 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.138 162.703 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 120' ' ' ARG . . . . . 0.506 ' HB2' ' HB ' ' B' ' 100' ' ' VAL . 99.3 mtt180 -74.56 81.06 1.98 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.198 -161.147 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 121' ' ' LYS . . . . . . . . . . . . . 95.0 mttt -75.79 84.7 2.76 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.166 -177.471 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 122' ' ' TYR . . . . . 0.42 ' CZ ' ' HB3' ' B' ' 120' ' ' ARG . 16.1 m-85 -97.99 107.38 19.84 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.292 176.524 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 123' ' ' ARG . . . . . 0.494 ' HA ' ' HA ' ' B' ' 97' ' ' VAL . 59.5 ttt180 -88.25 143.24 27.15 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.217 -160.998 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 124' ' ' ILE . . . . . . . . . . . . . 78.8 mt -73.85 125.03 90.66 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.177 -170.419 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 125' ' ' PRO . . . . . . . . . . . . . 86.1 Cg_exo -49.9 140.88 30.15 Favored 'Trans proline' 0 N--CA 1.459 -0.554 0 C-N-CA 121.688 1.592 . . . . 0.0 111.134 174.182 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 126' ' ' ALA . . . . . . . . . . . . . . . -58.1 -21.34 45.86 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.267 -171.739 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 127' ' ' ASP . . . . . . . . . . . . . 93.6 m-20 -100.72 25.78 7.52 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.18 -176.538 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 128' ' ' VAL . . . . . . . . . . . . . 98.2 t -129.24 134.87 63.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.219 178.791 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 129' ' ' ASP . . . . . . . . . . . . . 64.1 t0 -87.34 115.96 64.51 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.191 -175.571 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 130' ' ' PRO . . . . . . . . . . . . . 80.2 Cg_exo -55.36 -33.2 84.57 Favored 'Trans proline' 0 N--CA 1.458 -0.616 0 C-N-CA 121.697 1.598 . . . . 0.0 111.224 -177.089 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 131' ' ' LEU . . . . . . . . . . . . . 97.8 mt -85.67 4.96 34.13 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.181 -168.404 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 132' ' ' THR . . . . . . . . . . . . . 76.1 p -115.32 4.24 14.38 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.275 -0.42 . . . . 0.0 111.209 178.093 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 133' ' ' ILE . . . . . . . . . . . . . 95.2 mt -94.11 126.16 46.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.185 -175.462 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 134' ' ' THR . . . . . . . . . . . . . 93.3 m -127.98 130.73 48.85 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.261 179.081 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 135' ' ' SER . . . . . . . . . . . . . 85.5 p -83.07 154.58 24.32 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.008 -0.542 . . . . 0.0 111.175 -179.583 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 136' ' ' SER . . . . . . . . . . . . . 43.7 t -146.89 132.39 18.68 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.269 176.451 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 137' ' ' LEU . . . . . . . . . . . . . 63.6 tp -108.42 126.15 52.56 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.332 -0.394 . . . . 0.0 111.155 -178.778 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 138' ' ' SER . . . . . 0.622 ' HG ' ' H ' ' B' ' 142' ' ' VAL . 63.5 p -92.89 165.26 12.98 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.166 -178.819 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 139' ' ' SER . . . . . . . . . . . . . 88.1 p -73.96 -14.33 61.02 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.033 -0.53 . . . . 0.0 111.115 177.184 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 140' ' ' ASP . . . . . . . . . . . . . 92.8 m-20 -85.84 -5.01 59.31 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.233 178.063 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 141' ' ' GLY . . . . . . . . . . . . . . . 84.31 39.72 8.94 Favored Glycine 0 CA--C 1.523 0.557 0 N-CA-C 111.171 -0.772 . . . . 0.0 111.171 179.139 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 142' ' ' VAL . . . . . 0.622 ' H ' ' HG ' ' B' ' 138' ' ' SER . 79.7 t -116.1 121.25 67.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-O 120.79 0.329 . . . . 0.0 111.197 175.437 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 143' ' ' LEU . . . . . . . . . . . . . 61.6 tp -97.27 125.05 41.58 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.189 177.539 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 144' ' ' THR . . . . . . . . . . . . . 89.0 m -120.47 107.18 12.57 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.239 -177.589 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 145' ' ' VAL . . . . . . . . . . . . . 46.4 t -103.11 99.74 9.0 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.213 -179.335 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 146' ' ' ASP . . . . . 0.543 ' C ' ' OD1' ' B' ' 146' ' ' ASP . 9.7 t0 -137.4 115.47 11.62 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.293 -0.412 . . . . 0.0 111.141 -155.795 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 147' ' ' GLY . . . . . 0.413 ' O ' ' HB3' ' B' ' 75' ' ' PHE . . . -131.97 156.84 22.15 Favored Glycine 0 CA--C 1.524 0.639 0 N-CA-C 111.158 -0.777 . . . . 0.0 111.158 168.548 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 148' ' ' PRO . . . . . . . . . . . . . 57.7 Cg_endo -70.18 163.24 39.34 Favored 'Trans proline' 0 N--CA 1.458 -0.595 0 C-N-CA 121.655 1.57 . . . . 0.0 111.245 -179.808 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 149' ' ' ARG . . . . . . . . . . . . . 82.0 mtp180 -76.42 -169.21 1.14 Allowed 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.229 -177.133 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 150' ' ' LYS . . . . . . . . . . . . . 96.2 mttt -95.22 -17.14 21.98 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.124 175.69 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 151' ' ' GLN . . . . . . . . . . . . . 99.9 mm-40 -99.96 -2.81 33.68 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.196 175.09 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 152' ' ' VAL . . . . . . . . . . . . . 13.4 p . . . . . 0 C--O 1.22 -0.496 0 CA-C-O 117.919 -1.039 . . . . 0.0 111.069 178.891 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.523 0.566 0 N-CA-C 111.283 -0.727 . . . . 0.0 111.283 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 94.9 mt -107.39 23.17 14.85 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-O 120.746 0.308 . . . . 0.0 111.168 -179.978 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 96.4 p -130.51 -10.6 4.05 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.169 178.9 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 97.0 mt-10 -101.25 163.38 12.31 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.146 -175.719 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 68' ' ' MET . . . . . . . . . . . . . 75.0 mtm -106.52 118.81 37.64 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.145 177.794 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 79.2 ttt180 -84.19 107.18 16.36 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.172 179.473 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 57.8 tp -106.93 97.17 6.98 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.231 175.36 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 71' ' ' GLU . . . . . 0.514 ' O ' ' C ' ' A' ' 72' ' ' LYS . 77.1 mm-40 -73.45 163.42 28.07 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.187 172.1 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 72' ' ' LYS . . . . . 0.514 ' C ' ' O ' ' A' ' 71' ' ' GLU . 88.1 tttt -28.19 -59.52 0.12 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.207 -179.388 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 52.4 p-10 -133.66 54.69 1.94 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.189 -179.044 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 80.3 ttt180 -161.51 125.85 3.39 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.117 171.876 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 75' ' ' PHE . . . . . . . . . . . . . 80.5 t80 -104.01 117.14 33.58 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.265 -177.889 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 33.5 t -127.22 141.1 51.82 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.19 -175.443 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 87.2 t -112.44 120.67 63.18 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.251 175.873 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 87.1 m-20 -90.76 132.47 35.82 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.293 -0.412 . . . . 0.0 111.292 175.455 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 58.9 mt -134.05 142.65 47.66 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.206 -170.206 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 66.5 t0 -89.68 111.75 22.8 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.285 -0.416 . . . . 0.0 111.202 -175.543 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 81' ' ' VAL . . . . . 0.496 ' O ' ' C ' ' A' ' 82' ' ' LYS . 53.0 t -119.37 -5.76 10.9 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.162 176.195 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 82' ' ' LYS . . . . . 0.496 ' C ' ' O ' ' A' ' 81' ' ' VAL . 87.6 tttt -27.47 -59.19 0.1 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.111 175.233 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 96.5 m-70 -82.72 -31.76 28.33 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.156 -175.053 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 84' ' ' PHE . . . . . . . . . . . . . 22.5 m-85 -71.51 151.52 43.84 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.28 -174.985 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 85' ' ' SER . . . . . 0.406 ' O ' ' HG ' ' A' ' 89' ' ' LEU . 70.2 m -99.21 137.71 20.44 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.028 174.594 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 81.9 Cg_exo -53.39 -34.32 70.62 Favored 'Trans proline' 0 N--CA 1.457 -0.618 0 C-N-CA 121.656 1.571 . . . . 0.0 111.178 177.214 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 99.3 mt-10 -78.87 -15.48 58.29 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.229 -0.442 . . . . 0.0 111.145 178.734 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 48.4 mt-10 -99.08 -13.22 19.92 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.106 177.815 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 89' ' ' LEU . . . . . 0.406 ' HG ' ' O ' ' A' ' 85' ' ' SER . 59.5 mt -72.44 132.52 44.01 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.319 -0.401 . . . . 0.0 111.196 178.148 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 98.7 mttt -122.18 45.55 2.32 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.154 170.662 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 90.1 t -66.37 120.35 13.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.139 -173.589 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 97.2 mttt -140.9 172.72 12.29 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.132 -168.913 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 33.4 m -123.71 164.99 20.81 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.063 -0.517 . . . . 0.0 111.213 167.567 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 27.1 tp -144.45 71.21 1.3 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.22 177.646 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 82.74 -104.17 2.51 Favored Glycine 0 CA--C 1.523 0.58 0 N-CA-C 111.176 -0.769 . . . . 0.0 111.176 -179.378 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 48.6 p-10 -102.82 23.35 12.27 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 120.734 0.302 . . . . 0.0 111.164 -177.523 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . 27.5 m -134.26 162.77 38.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.276 175.195 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 98' ' ' ILE . . . . . . . . . . . . . 62.1 mt -119.4 91.07 1.72 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.4 0 CA-C-N 116.319 -0.401 . . . . 0.0 111.227 175.214 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 87.3 tt0 -71.88 83.38 0.93 Allowed 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.158 -179.011 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 100' ' ' VAL . . . . . . . . . . . . . 62.1 t -75.74 80.48 0.59 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.211 179.618 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 101' ' ' HIS . . . . . . . . . . . . . 64.5 t-80 -87.37 141.88 28.3 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.248 178.962 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 102' ' ' GLY . . . . . 0.412 ' O ' ' HB3' ' A' ' 103' ' ' LYS . . . -157.8 -175.1 28.34 Favored Glycine 0 CA--C 1.523 0.585 0 N-CA-C 111.173 -0.771 . . . . 0.0 111.173 -179.418 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 103' ' ' LYS . . . . . 0.412 ' HB3' ' O ' ' A' ' 102' ' ' GLY . 65.5 pttt -177.17 152.18 0.86 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.831 0.348 . . . . 0.0 111.081 169.295 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 104' ' ' HIS . . . . . . . . . . . . . 8.6 p-80 -120.73 153.02 37.54 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.08 -0.509 . . . . 0.0 111.223 161.729 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 97.3 mt-10 -133.44 150.77 51.75 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.166 179.745 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 81.5 mm-40 45.84 58.18 4.55 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.141 -0.482 . . . . 0.0 111.226 -179.612 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 107' ' ' ARG . . . . . 0.436 ' HB3' HG13 ' A' ' 114' ' ' ILE . 7.7 tpt180 -104.46 82.47 1.92 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.096 -171.355 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 108' ' ' GLN . . . . . . . . . . . . . 70.6 tp60 -59.62 123.45 16.93 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.119 179.98 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 44.3 p30 -133.59 -158.17 0.87 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.212 179.059 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 99.9 mt-10 -69.16 -23.06 63.9 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.295 -0.411 . . . . 0.0 111.21 -176.923 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 111' ' ' HIS . . . . . . . . . . . . . 71.0 m80 -129.21 68.19 1.42 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.235 -171.422 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 84.93 -154.32 29.09 Favored Glycine 0 CA--C 1.524 0.61 0 N-CA-C 111.173 -0.771 . . . . 0.0 111.173 -174.704 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 113' ' ' PHE . . . . . 0.401 ' CD1' ' C ' ' A' ' 113' ' ' PHE . 3.0 p90 -121.06 150.22 41.52 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.768 0.318 . . . . 0.0 111.159 162.305 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 114' ' ' ILE . . . . . 0.436 HG13 ' HB3' ' A' ' 107' ' ' ARG . 37.4 pt -119.96 150.87 22.52 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.124 -175.248 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 42.7 t -142.86 108.01 4.97 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.227 174.835 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 116' ' ' ARG . . . . . . . . . . . . . 72.4 mtp180 -130.28 137.91 50.22 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.208 -165.311 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 72.9 mm-40 -85.12 161.74 19.54 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.189 168.536 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 118' ' ' PHE . . . . . . . . . . . . . 29.1 t80 -139.96 141.16 36.45 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.225 -178.676 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 119' ' ' HIS . . . . . 0.4 ' O ' ' CG ' ' A' ' 119' ' ' HIS . 15.7 t-160 -162.53 60.95 0.21 Allowed 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.31 -0.404 . . . . 0.0 111.265 -172.602 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 40.4 ttm180 -89.88 103.67 16.3 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.248 178.824 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 121' ' ' LYS . . . . . . . . . . . . . 41.1 ttmt -96.47 106.89 19.21 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.299 -178.399 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 122' ' ' TYR . . . . . . . . . . . . . 37.3 m-85 -76.23 160.79 29.34 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.282 175.814 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 123' ' ' ARG . . . . . . . . . . . . . 11.1 mpt_? -107.11 123.5 48.33 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.124 166.365 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 124' ' ' ILE . . . . . . . . . . . . . 90.7 mt -73.75 125.1 90.68 Favored Pre-proline 0 C--N 1.328 -0.347 0 CA-C-N 116.043 -0.526 . . . . 0.0 111.274 -175.18 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 125' ' ' PRO . . . . . . . . . . . . . 78.7 Cg_exo -52.06 144.14 38.45 Favored 'Trans proline' 0 N--CA 1.457 -0.633 0 C-N-CA 121.768 1.645 . . . . 0.0 111.23 175.009 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . -58.02 -22.88 51.83 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.237 -177.544 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 127' ' ' ASP . . . . . . . . . . . . . 81.1 m-20 -97.67 9.23 43.07 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.196 -176.957 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 128' ' ' VAL . . . . . . . . . . . . . 98.3 t -112.29 122.84 67.3 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.278 170.874 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 60.1 t0 -85.33 122.11 73.72 Favored Pre-proline 0 C--N 1.33 -0.28 0 CA-C-N 116.091 -0.504 . . . . 0.0 111.253 176.794 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 130' ' ' PRO . . . . . . . . . . . . . 74.7 Cg_exo -50.25 -34.22 39.21 Favored 'Trans proline' 0 C--N 1.328 -0.539 0 C-N-CA 121.738 1.625 . . . . 0.0 111.192 -178.71 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 131' ' ' LEU . . . . . . . . . . . . . 95.7 mt -73.79 -22.39 59.84 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.282 -175.526 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 132' ' ' THR . . . . . . . . . . . . . 77.5 p -94.14 2.17 56.0 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.264 -177.264 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 133' ' ' ILE . . . . . . . . . . . . . 93.9 mt -85.11 122.6 38.42 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.262 177.972 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 134' ' ' THR . . . . . . . . . . . . . 60.9 p -109.73 168.35 9.48 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.307 -0.406 . . . . 0.0 111.105 175.989 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 135' ' ' SER . . . . . . . . . . . . . 35.7 t -144.56 135.69 25.19 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.265 -176.711 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 136' ' ' SER . . . . . . . . . . . . . 99.6 p -145.19 150.99 37.71 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.17 177.284 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 137' ' ' LEU . . . . . . . . . . . . . 56.7 tp -133.74 129.27 36.45 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.126 -172.833 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 138' ' ' SER . . . . . . . . . . . . . 60.0 p -88.33 166.65 14.14 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.128 177.931 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 139' ' ' SER . . . . . . . . . . . . . 89.4 p -73.95 -13.16 60.84 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.181 177.308 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 140' ' ' ASP . . . . . . . . . . . . . 92.7 m-20 -84.9 -8.56 58.72 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.062 177.878 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 141' ' ' GLY . . . . . . . . . . . . . . . 89.97 31.16 11.32 Favored Glycine 0 CA--C 1.524 0.607 0 N-CA-C 111.21 -0.756 . . . . 0.0 111.21 -179.772 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 142' ' ' VAL . . . . . . . . . . . . . 66.6 t -99.61 104.87 16.64 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.364 0 CA-C-O 120.802 0.334 . . . . 0.0 111.134 174.488 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 143' ' ' LEU . . . . . . . . . . . . . 56.3 tp -102.52 126.71 49.67 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.19 -177.807 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 144' ' ' THR . . . . . . . . . . . . . 93.6 m -122.97 117.38 25.38 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.175 -176.669 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 145' ' ' VAL . . . . . . . . . . . . . 57.4 t -121.03 113.4 39.58 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.101 177.75 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 146' ' ' ASP . . . . . . . . . . . . . 9.9 p-10 -142.75 134.91 27.35 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.233 -159.437 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 147' ' ' GLY . . . . . . . . . . . . . . . -123.97 105.12 0.87 Allowed Glycine 0 CA--C 1.523 0.553 0 N-CA-C 111.262 -0.735 . . . . 0.0 111.262 173.152 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 148' ' ' PRO . . . . . 0.415 ' O ' ' C ' ' A' ' 149' ' ' ARG . 87.5 Cg_exo -66.43 -21.73 53.18 Favored 'Trans proline' 0 N--CA 1.458 -0.6 0 C-N-CA 121.688 1.592 . . . . 0.0 111.251 -162.803 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 149' ' ' ARG . . . . . 0.415 ' C ' ' O ' ' A' ' 148' ' ' PRO . 72.1 ttt180 -39.41 -51.22 2.11 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.193 -172.197 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 150' ' ' LYS . . . . . 0.4 ' C ' ' O ' ' A' ' 149' ' ' ARG . 58.3 tptt -36.93 110.23 0.11 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.137 178.578 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 151' ' ' GLN . . . . . . . . . . . . . 97.6 mm-40 -94.25 162.44 13.85 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.197 177.899 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 152' ' ' VAL . . . . . . . . . . . . . 13.5 p . . . . . 0 C--O 1.22 -0.481 0 CA-C-O 117.8 -1.095 . . . . 0.0 111.194 176.701 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' B' B ' 64' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.523 0.583 0 N-CA-C 111.296 -0.721 . . . . 0.0 111.296 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' B' B ' 65' ' ' LEU . . . . . . . . . . . . . 95.0 mt -107.43 23.23 14.77 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 120.807 0.337 . . . . 0.0 111.169 -179.943 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 66' ' ' SER . . . . . . . . . . . . . 97.2 p -130.55 -10.61 4.03 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.214 178.886 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 67' ' ' GLU . . . . . . . . . . . . . 97.1 mt-10 -101.4 163.44 12.27 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.149 -175.718 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 68' ' ' MET . . . . . . . . . . . . . 75.0 mtm -106.58 118.74 37.47 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.146 177.897 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 69' ' ' ARG . . . . . . . . . . . . . 79.2 ttt180 -84.16 107.28 16.39 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.178 179.418 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 70' ' ' LEU . . . . . . . . . . . . . 57.6 tp -106.97 97.14 6.95 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.248 175.289 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 71' ' ' GLU . . . . . 0.502 ' O ' ' C ' ' B' ' 72' ' ' LYS . 77.2 mm-40 -73.38 163.51 27.97 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.091 -0.504 . . . . 0.0 111.146 172.08 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 72' ' ' LYS . . . . . 0.502 ' C ' ' O ' ' B' ' 71' ' ' GLU . 88.0 tttt -28.19 -59.64 0.12 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.19 -179.436 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 73' ' ' ASP . . . . . . . . . . . . . 52.3 p-10 -133.61 54.9 1.92 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.266 -0.425 . . . . 0.0 111.136 -179.101 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 74' ' ' ARG . . . . . . . . . . . . . 80.3 ttt180 -161.63 125.74 3.32 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.189 171.847 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 75' ' ' PHE . . . . . . . . . . . . . 80.5 t80 -103.99 117.21 33.75 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.17 -177.741 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 76' ' ' SER . . . . . . . . . . . . . 33.4 t -127.34 141.13 51.78 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.219 -175.513 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 77' ' ' VAL . . . . . . . . . . . . . 87.1 t -112.58 120.77 63.52 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.121 176.021 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 78' ' ' ASN . . . . . . . . . . . . . 87.1 m-20 -90.86 132.53 35.84 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.18 -0.463 . . . . 0.0 111.208 175.547 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 79' ' ' LEU . . . . . . . . . . . . . 58.3 mt -134.15 142.55 47.5 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.182 -170.179 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 80' ' ' ASP . . . . . . . . . . . . . 66.6 t0 -89.56 111.78 22.79 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.268 -175.577 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 81' ' ' VAL . . . . . 0.487 HG11 ' O ' ' B' ' 81' ' ' VAL . 54.6 t -119.25 -6.02 11.05 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.291 176.2 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 82' ' ' LYS . . . . . 0.482 ' C ' ' O ' ' B' ' 81' ' ' VAL . 87.6 tttt -27.54 -59.03 0.1 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.148 175.36 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 83' ' ' HIS . . . . . . . . . . . . . 96.6 m-70 -82.72 -31.74 28.33 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.947 0.403 . . . . 0.0 111.279 -175.181 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 84' ' ' PHE . . . . . . . . . . . . . 22.5 m-85 -71.49 151.5 43.87 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.103 -174.95 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 85' ' ' SER . . . . . . . . . . . . . 69.0 m -99.09 137.68 20.48 Favored Pre-proline 0 C--N 1.331 -0.233 0 CA-C-N 116.121 -0.491 . . . . 0.0 111.262 174.302 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 86' ' ' PRO . . . . . . . . . . . . . 82.1 Cg_exo -53.37 -34.46 71.03 Favored 'Trans proline' 0 N--CA 1.457 -0.652 0 C-N-CA 121.788 1.659 . . . . 0.0 111.063 177.286 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 87' ' ' GLU . . . . . . . . . . . . . 99.2 mt-10 -78.68 -15.53 58.37 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.308 -0.405 . . . . 0.0 111.207 178.664 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 88' ' ' GLU . . . . . . . . . . . . . 48.3 mt-10 -98.99 -13.25 19.99 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.233 177.8 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 89' ' ' LEU . . . . . . . . . . . . . 58.3 mt -72.58 132.48 43.83 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.191 178.165 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 90' ' ' LYS . . . . . . . . . . . . . 98.6 mttt -122.01 45.46 2.33 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.103 -0.499 . . . . 0.0 111.305 170.67 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 91' ' ' VAL . . . . . . . . . . . . . 90.3 t -66.34 120.25 13.11 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.139 -173.464 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 92' ' ' LYS . . . . . . . . . . . . . 97.2 mttt -140.89 172.74 12.26 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.244 -168.965 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 93' ' ' VAL . . . . . . . . . . . . . 33.3 m -123.65 164.97 20.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.278 167.591 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 94' ' ' LEU . . . . . . . . . . . . . 27.3 tp -144.45 71.02 1.3 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.181 177.764 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 95' ' ' GLY . . . . . . . . . . . . . . . 82.77 -104.15 2.52 Favored Glycine 0 CA--C 1.523 0.586 0 N-CA-C 111.207 -0.757 . . . . 0.0 111.207 -179.395 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 96' ' ' ASP . . . . . . . . . . . . . 48.7 p-10 -102.78 23.39 12.18 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.776 0.322 . . . . 0.0 111.158 -177.555 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 97' ' ' VAL . . . . . . . . . . . . . 27.6 m -134.35 162.84 38.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.333 -0.394 . . . . 0.0 111.187 175.151 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 98' ' ' ILE . . . . . . . . . . . . . 62.8 mt -119.55 91.08 1.72 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.131 175.359 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 99' ' ' GLU . . . . . . . . . . . . . 87.3 tt0 -71.86 83.38 0.92 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.103 -179.002 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 100' ' ' VAL . . . . . . . . . . . . . 61.8 t -75.78 80.62 0.6 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.211 179.592 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 101' ' ' HIS . . . . . . . . . . . . . 64.0 t-80 -87.37 141.83 28.34 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.322 178.887 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 102' ' ' GLY . . . . . 0.414 ' O ' ' HB3' ' B' ' 103' ' ' LYS . . . -157.77 -175.04 28.24 Favored Glycine 0 CA--C 1.523 0.583 0 N-CA-C 111.145 -0.782 . . . . 0.0 111.145 -179.423 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 103' ' ' LYS . . . . . 0.414 ' HB3' ' O ' ' B' ' 102' ' ' GLY . 65.4 pttt -177.2 152.23 0.86 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.822 0.344 . . . . 0.0 111.129 169.317 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 104' ' ' HIS . . . . . . . . . . . . . 8.7 p-80 -120.85 153.03 37.67 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.251 161.754 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 105' ' ' GLU . . . . . . . . . . . . . 97.3 mt-10 -133.44 150.83 51.75 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.181 179.781 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 106' ' ' GLU . . . . . . . . . . . . . 81.5 mm-40 45.74 58.21 4.48 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.227 -179.606 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 107' ' ' ARG . . . . . 0.423 ' HB3' HG13 ' B' ' 114' ' ' ILE . 7.7 tpt180 -104.37 82.28 1.91 Allowed 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.182 -171.357 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 108' ' ' GLN . . . . . . . . . . . . . 70.7 tp60 -59.55 123.23 16.2 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.209 -179.968 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 109' ' ' ASP . . . . . . . . . . . . . 44.7 p30 -133.4 -158.2 0.87 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.134 -0.484 . . . . 0.0 111.289 179.05 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 110' ' ' GLU . . . . . . . . . . . . . 99.9 mt-10 -68.96 -23.14 64.1 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.327 -0.397 . . . . 0.0 111.177 -176.931 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 111' ' ' HIS . . . . . . . . . . . . . 71.2 m80 -129.24 68.03 1.42 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.162 -171.217 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 112' ' ' GLY . . . . . . . . . . . . . . . 85.07 -154.31 28.89 Favored Glycine 0 CA--C 1.524 0.649 0 N-CA-C 111.189 -0.765 . . . . 0.0 111.189 -174.755 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 113' ' ' PHE . . . . . . . . . . . . . 3.0 p90 -121.06 150.36 41.3 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 120.863 0.363 . . . . 0.0 111.129 162.156 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 114' ' ' ILE . . . . . 0.423 HG13 ' HB3' ' B' ' 107' ' ' ARG . 37.5 pt -120.05 150.88 22.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.185 -175.323 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 115' ' ' SER . . . . . . . . . . . . . 42.6 t -142.85 107.91 4.95 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.187 174.924 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 116' ' ' ARG . . . . . . . . . . . . . 72.3 mtp180 -130.22 137.92 50.3 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.075 -0.511 . . . . 0.0 111.235 -165.429 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 117' ' ' GLU . . . . . . . . . . . . . 72.9 mm-40 -85.06 161.8 19.57 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.218 168.532 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 118' ' ' PHE . . . . . . . . . . . . . 29.3 t80 -140.06 141.11 36.26 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.229 -0.442 . . . . 0.0 111.211 -178.684 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 119' ' ' HIS . . . . . . . . . . . . . 15.6 t-160 -162.42 61.01 0.22 Allowed 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.197 -172.595 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 120' ' ' ARG . . . . . . . . . . . . . 40.4 ttm180 -89.93 103.61 16.26 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.192 178.884 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 121' ' ' LYS . . . . . . . . . . . . . 41.1 ttmt -96.48 107.02 19.36 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.232 -178.39 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 122' ' ' TYR . . . . . . . . . . . . . 37.5 m-85 -76.33 160.78 29.29 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.133 175.827 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 123' ' ' ARG . . . . . . . . . . . . . 11.1 mpt_? -107.06 123.62 48.48 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.133 166.259 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 124' ' ' ILE . . . . . . . . . . . . . 90.8 mt -73.91 125.26 90.42 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-N 116.086 -0.507 . . . . 0.0 111.06 -175.117 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 125' ' ' PRO . . . . . . . . . . . . . 77.9 Cg_exo -52.14 144.25 38.74 Favored 'Trans proline' 0 N--CA 1.458 -0.567 0 C-N-CA 121.778 1.652 . . . . 0.0 111.076 174.893 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 126' ' ' ALA . . . . . . . . . . . . . . . -58.15 -22.85 52.98 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.075 -0.511 . . . . 0.0 111.105 -177.535 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 127' ' ' ASP . . . . . . . . . . . . . 81.1 m-20 -97.58 9.18 43.15 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.292 -0.413 . . . . 0.0 111.223 -176.953 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 128' ' ' VAL . . . . . . . . . . . . . 98.5 t -112.32 122.7 67.06 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.304 170.986 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 129' ' ' ASP . . . . . . . . . . . . . 60.1 t0 -85.26 122.09 73.82 Favored Pre-proline 0 C--N 1.33 -0.275 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.215 176.796 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 130' ' ' PRO . . . . . . . . . . . . . 74.3 Cg_exo -50.3 -34.1 39.27 Favored 'Trans proline' 0 C--N 1.327 -0.573 0 C-N-CA 121.676 1.584 . . . . 0.0 111.147 -178.745 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 131' ' ' LEU . . . . . . . . . . . . . 95.7 mt -73.89 -22.38 59.73 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.249 -175.492 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 132' ' ' THR . . . . . . . . . . . . . 76.8 p -94.16 2.17 55.99 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.175 -177.215 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 133' ' ' ILE . . . . . . . . . . . . . 93.7 mt -85.05 122.45 38.22 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.231 177.974 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 134' ' ' THR . . . . . . . . . . . . . 62.6 p -109.72 168.48 9.38 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.343 -0.39 . . . . 0.0 111.112 175.896 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 135' ' ' SER . . . . . . . . . . . . . 35.2 t -144.6 135.7 25.13 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.191 -176.673 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 136' ' ' SER . . . . . . . . . . . . . 99.6 p -145.07 150.95 37.75 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.242 177.265 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 137' ' ' LEU . . . . . . . . . . . . . 56.7 tp -133.72 129.17 36.35 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.243 -172.889 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 138' ' ' SER . . . . . . . . . . . . . 59.0 p -88.23 166.55 14.27 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.266 177.949 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 139' ' ' SER . . . . . . . . . . . . . 89.0 p -73.78 -13.38 60.94 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.264 -0.426 . . . . 0.0 111.197 177.273 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 140' ' ' ASP . . . . . . . . . . . . . 92.7 m-20 -84.71 -8.58 58.8 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.295 177.822 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 141' ' ' GLY . . . . . . . . . . . . . . . 90.04 31.02 11.4 Favored Glycine 0 CA--C 1.523 0.569 0 N-CA-C 111.227 -0.749 . . . . 0.0 111.227 -179.858 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 142' ' ' VAL . . . . . . . . . . . . . 66.6 t -99.51 104.9 16.66 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-O 120.812 0.339 . . . . 0.0 111.175 174.537 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 143' ' ' LEU . . . . . . . . . . . . . 56.3 tp -102.6 126.67 49.76 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.197 -177.731 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 144' ' ' THR . . . . . . . . . . . . . 93.0 m -122.94 117.33 25.28 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.295 -176.721 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 145' ' ' VAL . . . . . . . . . . . . . 57.8 t -121.0 113.4 39.6 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.24 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.168 177.735 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 146' ' ' ASP . . . . . . . . . . . . . 9.9 p-10 -142.63 134.96 27.63 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.178 -159.419 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 147' ' ' GLY . . . . . . . . . . . . . . . -123.94 105.14 0.87 Allowed Glycine 0 CA--C 1.523 0.532 0 N-CA-C 111.253 -0.739 . . . . 0.0 111.253 173.106 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 148' ' ' PRO . . . . . 0.405 ' O ' ' C ' ' B' ' 149' ' ' ARG . 88.1 Cg_exo -66.52 -21.67 52.63 Favored 'Trans proline' 0 N--CA 1.458 -0.615 0 C-N-CA 121.76 1.64 . . . . 0.0 111.227 -162.784 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 149' ' ' ARG . . . . . 0.405 ' C ' ' O ' ' B' ' 148' ' ' PRO . 72.2 ttt180 -39.46 -51.31 2.15 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.175 -172.215 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 150' ' ' LYS . . . . . . . . . . . . . 58.3 tptt -36.88 110.27 0.11 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.109 178.61 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 151' ' ' GLN . . . . . . . . . . . . . 97.7 mm-40 -94.29 162.44 13.84 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.162 177.932 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 152' ' ' VAL . . . . . . . . . . . . . 13.7 p . . . . . 0 C--O 1.22 -0.467 0 CA-C-O 118.034 -0.984 . . . . 0.0 111.173 176.658 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.522 0.496 0 N-CA-C 111.217 -0.753 . . . . 0.0 111.217 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 91.9 mt -90.19 151.44 21.56 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.702 0.287 . . . . 0.0 111.233 -179.427 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 89.3 p -82.35 -11.66 58.45 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.264 -0.425 . . . . 0.0 111.285 176.961 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 88.4 tt0 -60.36 129.78 43.37 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.197 179.393 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 68' ' ' MET . . . . . . . . . . . . . 1.9 pmm? -82.81 157.8 23.03 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.084 -0.507 . . . . 0.0 111.214 176.08 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 60.0 ttp180 -127.68 139.79 52.49 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.145 -178.208 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 55.8 mt -99.93 100.78 11.74 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.095 169.717 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 71' ' ' GLU . . . . . 0.548 ' O ' ' C ' ' A' ' 72' ' ' LYS . 95.8 mt-10 -68.38 -176.3 0.74 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.115 174.367 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 72' ' ' LYS . . . . . 0.548 ' C ' ' O ' ' A' ' 71' ' ' GLU . 88.0 tttt -27.15 -60.17 0.09 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.065 -168.516 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 58.7 p30 -142.54 26.78 1.74 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.159 -172.683 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 15.6 ptm180 -146.15 171.29 15.13 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.201 -172.01 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 75' ' ' PHE . . . . . . . . . . . . . 10.5 p90 -119.99 146.96 45.36 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.093 -0.503 . . . . 0.0 111.311 -179.054 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 36.2 t -139.37 121.3 15.57 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.138 179.819 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 96.9 t -99.47 110.62 27.07 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.372 0 CA-C-N 116.309 -0.405 . . . . 0.0 111.129 -174.36 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 77.0 m-20 -92.59 104.94 17.19 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.183 -179.732 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 86.3 mt -97.04 133.51 41.61 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.188 -173.531 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 67.4 t0 -83.55 104.47 13.7 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.235 174.54 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 34.6 m -131.72 3.77 1.81 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.411 0 CA-C-N 116.291 -0.413 . . . . 0.0 111.171 -171.746 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 88.4 tttt -47.32 -48.84 25.08 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.357 -0.383 . . . . 0.0 111.251 177.351 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 20.7 p-80 -77.29 -20.53 54.9 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.174 -174.667 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 84' ' ' PHE . . . . . . . . . . . . . 20.3 m-30 -72.26 145.25 48.04 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.215 178.481 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 85' ' ' SER . . . . . 0.446 ' O ' ' N ' ' A' ' 89' ' ' LEU . 72.3 m -100.29 148.82 35.43 Favored Pre-proline 0 C--N 1.328 -0.336 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.212 175.532 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 71.8 Cg_exo -54.19 -33.21 73.91 Favored 'Trans proline' 0 N--CA 1.458 -0.594 0 C-N-CA 121.674 1.583 . . . . 0.0 111.206 177.429 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 99.1 mt-10 -80.28 -18.17 50.07 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.294 -0.412 . . . . 0.0 111.203 -179.885 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 60.4 mt-10 -104.87 -13.61 15.77 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.248 178.978 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 89' ' ' LEU . . . . . 0.446 ' N ' ' O ' ' A' ' 85' ' ' SER . 58.6 tp -102.85 112.72 25.66 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.228 -169.196 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 98.3 mttt -119.53 81.47 1.73 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.214 178.648 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 86.1 t -90.75 127.57 43.12 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-N 116.311 -0.404 . . . . 0.0 111.069 177.374 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 87.7 tttt -149.67 128.77 12.72 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.168 -171.862 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 74.5 t -72.65 97.47 0.76 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.191 171.864 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 94' ' ' LEU . . . . . 0.4 ' HB3' HG21 ' A' ' 97' ' ' VAL . 59.8 tp -97.34 78.42 2.71 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.083 -0.508 . . . . 0.0 111.238 -162.014 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 70.3 -106.66 1.9 Allowed Glycine 0 CA--C 1.523 0.533 0 N-CA-C 111.282 -0.727 . . . . 0.0 111.282 175.483 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 49.6 p-10 -95.93 2.53 53.61 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.771 0.32 . . . . 0.0 111.196 -177.78 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 97' ' ' VAL . . . . . 0.458 ' HA ' ' HA ' ' A' ' 123' ' ' ARG . 31.9 m -128.7 175.12 10.89 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.079 -0.509 . . . . 0.0 111.203 172.479 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 98' ' ' ILE . . . . . . . . . . . . . 72.0 mt -116.97 92.22 2.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.118 174.579 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 83.0 tt0 -62.51 130.66 46.14 Favored 'General case' 0 C--N 1.328 -0.37 0 CA-C-N 116.294 -0.412 . . . . 0.0 111.216 -176.799 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 100' ' ' VAL . . . . . . . . . . . . . 28.7 t -119.43 91.77 1.93 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.258 166.563 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 101' ' ' HIS . . . . . . . . . . . . . 57.8 t-80 -103.05 64.75 0.85 Allowed 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.209 -171.842 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . -95.14 176.38 34.32 Favored Glycine 0 CA--C 1.523 0.533 0 N-CA-C 111.282 -0.727 . . . . 0.0 111.282 -175.436 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 64.8 pttt -174.71 155.07 2.09 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.797 0.332 . . . . 0.0 111.124 169.241 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 104' ' ' HIS . . . . . 0.604 ' HD1' ' C ' ' A' ' 104' ' ' HIS . 0.3 OUTLIER -134.36 102.46 5.35 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.074 -0.512 . . . . 0.0 111.187 168.236 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 88.6 tt0 -81.45 144.44 31.38 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.184 179.581 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 94.2 mt-10 63.27 52.96 2.31 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.18 -173.531 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 60.3 ttt-85 -108.64 92.07 3.9 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.296 -0.411 . . . . 0.0 111.195 -174.17 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 108' ' ' GLN . . . . . . . . . . . . . 66.4 tt0 -58.39 120.33 8.57 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.237 177.656 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 53.1 p30 -160.36 -149.79 0.2 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.178 -173.089 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 88.5 tt0 -45.5 -67.36 0.29 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.176 -176.026 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 111' ' ' HIS . . . . . . . . . . . . . 98.0 m-70 -96.76 78.19 2.88 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.203 -175.006 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 69.63 -111.85 4.11 Favored Glycine 0 CA--C 1.524 0.598 0 N-CA-C 111.218 -0.753 . . . . 0.0 111.218 -179.616 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 113' ' ' PHE . . . . . . . . . . . . . 46.7 p90 -138.3 153.92 49.02 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.814 0.34 . . . . 0.0 111.154 162.005 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 114' ' ' ILE . . . . . 0.418 ' C ' ' CD1' ' A' ' 114' ' ' ILE . 2.3 pp -120.69 164.85 16.77 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.16 -167.59 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 46.9 t -138.73 99.19 3.74 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.292 161.858 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 116' ' ' ARG . . . . . . . . . . . . . 89.1 mtm180 -112.83 111.47 22.26 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.238 -167.591 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 86.3 tt0 -85.57 104.53 15.41 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.344 -0.389 . . . . 0.0 111.189 176.627 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 118' ' ' PHE . . . . . . . . . . . . . 74.4 m-85 -84.18 163.26 19.85 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.214 -173.86 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 119' ' ' HIS . . . . . . . . . . . . . 9.4 t-160 -163.6 62.45 0.17 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.067 178.902 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 79.8 mtt-85 -84.53 103.2 13.46 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.222 -172.621 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 121' ' ' LYS . . . . . . . . . . . . . 97.2 mttt -85.6 85.6 7.41 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.221 175.393 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 122' ' ' TYR . . . . . 0.443 ' CD1' ' C ' ' A' ' 122' ' ' TYR . 4.7 t80 -81.39 109.86 16.28 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.296 -0.411 . . . . 0.0 111.186 179.382 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 123' ' ' ARG . . . . . 0.458 ' HA ' ' HA ' ' A' ' 97' ' ' VAL . 7.4 ttp180 -77.44 139.76 39.72 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.284 -159.998 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 124' ' ' ILE . . . . . . . . . . . . . 72.4 mt -89.49 133.59 34.28 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.294 -172.626 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 125' ' ' PRO . . . . . . . . . . . . . 75.1 Cg_exo -50.49 147.0 17.99 Favored 'Trans proline' 0 N--CA 1.458 -0.615 0 C-N-CA 121.661 1.574 . . . . 0.0 111.182 173.37 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . -61.99 -14.89 39.68 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.178 -177.104 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 127' ' ' ASP . . . . . . . . . . . . . 78.8 m-20 -99.68 -17.31 17.83 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.194 -175.421 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 128' ' ' VAL . . . . . . . . . . . . . 83.3 t -94.98 140.13 17.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.155 -178.826 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 85.6 m-20 -109.82 154.49 42.52 Favored Pre-proline 0 C--N 1.328 -0.327 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.204 179.084 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 130' ' ' PRO . . . . . . . . . . . . . 82.1 Cg_exo -53.19 -31.92 57.6 Favored 'Trans proline' 0 N--CA 1.458 -0.575 0 C-N-CA 121.739 1.626 . . . . 0.0 111.235 -179.882 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 131' ' ' LEU . . . . . . . . . . . . . 95.8 mt -81.76 -31.79 31.78 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.166 -174.777 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 132' ' ' THR . . . . . . . . . . . . . 82.2 p -72.47 -23.46 61.05 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.202 178.832 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 133' ' ' ILE . . . . . . . . . . . . . 93.6 mt -73.81 127.68 35.81 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.383 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.292 177.008 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 134' ' ' THR . . . . . . . . . . . . . 98.2 m -112.18 132.68 54.75 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.177 -178.804 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 135' ' ' SER . . . . . . . . . . . . . 30.2 t -111.72 130.41 55.79 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.219 -179.976 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 136' ' ' SER . . . . . . . . . . . . . 42.6 t -141.75 127.05 18.66 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.243 -177.764 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 137' ' ' LEU . . . . . . . . . . . . . 63.6 tp -98.99 128.68 45.18 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.287 -0.415 . . . . 0.0 111.167 -175.93 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 138' ' ' SER . . . . . . . . . . . . . 59.7 p -86.57 166.07 15.71 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.173 177.405 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 139' ' ' SER . . . . . . . . . . . . . 88.7 p -76.8 -11.22 59.8 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.23 178.74 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 140' ' ' ASP . . . . . . . . . . . . . 89.2 m-20 -90.04 -1.86 58.03 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.067 -0.515 . . . . 0.0 111.125 178.995 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 141' ' ' GLY . . . . . . . . . . . . . . . 83.78 35.8 15.26 Favored Glycine 0 CA--C 1.524 0.624 0 N-CA-C 111.275 -0.73 . . . . 0.0 111.275 179.507 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 142' ' ' VAL . . . . . . . . . . . . . 62.0 t -115.53 108.15 24.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-O 120.851 0.358 . . . . 0.0 111.129 174.252 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 143' ' ' LEU . . . . . . . . . . . . . 62.1 tp -91.48 110.15 21.46 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.204 -177.74 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 144' ' ' THR . . . . . . . . . . . . . 97.1 m -96.54 115.41 27.38 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.229 -174.579 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 145' ' ' VAL . . . . . . . . . . . . . 60.3 t -120.26 113.38 40.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.153 -179.319 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 146' ' ' ASP . . . . . 0.708 ' OD1' ' O ' ' A' ' 146' ' ' ASP . 32.4 p30 -141.43 130.12 22.83 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.166 -159.045 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 147' ' ' GLY . . . . . . . . . . . . . . . -114.06 158.05 14.56 Favored Glycine 0 CA--C 1.522 0.518 0 N-CA-C 111.189 -0.764 . . . . 0.0 111.189 174.437 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 148' ' ' PRO . . . . . . . . . . . . . 56.8 Cg_endo -85.21 -45.61 0.05 OUTLIER 'Trans proline' 0 N--CA 1.458 -0.605 0 C-N-CA 121.748 1.632 . . . . 0.0 111.279 -162.948 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 149' ' ' ARG . . . . . . . . . . . . . 84.3 mtp180 -92.07 67.37 5.08 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.229 -163.622 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 150' ' ' LYS . . . . . . . . . . . . . 60.7 tptt -89.54 -54.74 3.94 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.214 176.489 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 151' ' ' GLN . . . . . . . . . . . . . 99.4 mm-40 -97.91 -24.19 15.5 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.237 176.669 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 152' ' ' VAL . . . . . . . . . . . . . 71.1 t . . . . . 0 C--O 1.219 -0.521 0 CA-C-O 117.597 -1.192 . . . . 0.0 111.096 174.979 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' B' B ' 64' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.523 0.567 0 N-CA-C 111.221 -0.752 . . . . 0.0 111.221 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' B' B ' 65' ' ' LEU . . . . . . . . . . . . . 92.2 mt -90.21 151.48 21.53 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.735 0.302 . . . . 0.0 111.19 -179.439 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 66' ' ' SER . . . . . . . . . . . . . 90.0 p -82.49 -11.53 58.42 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.218 176.942 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 67' ' ' GLU . . . . . . . . . . . . . 88.4 tt0 -60.42 129.67 42.79 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.164 179.434 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 68' ' ' MET . . . . . . . . . . . . . 1.9 pmm? -82.61 157.87 23.26 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.305 175.943 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 69' ' ' ARG . . . . . . . . . . . . . 60.0 ttp180 -127.74 139.81 52.45 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.096 -178.162 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 70' ' ' LEU . . . . . . . . . . . . . 55.5 mt -99.95 100.64 11.56 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.14 169.664 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 71' ' ' GLU . . . . . 0.56 ' O ' ' C ' ' B' ' 72' ' ' LYS . 95.7 mt-10 -68.11 -176.25 0.69 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.202 174.28 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 72' ' ' LYS . . . . . 0.56 ' C ' ' O ' ' B' ' 71' ' ' GLU . 88.0 tttt -27.29 -60.24 0.1 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.067 -168.446 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 73' ' ' ASP . . . . . . . . . . . . . 58.8 p30 -142.34 26.74 1.78 Allowed 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.173 -172.626 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 74' ' ' ARG . . . . . . . . . . . . . 15.6 ptm180 -146.3 171.29 15.21 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.234 -171.909 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 75' ' ' PHE . . . . . . . . . . . . . 10.6 p90 -120.07 146.92 45.46 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.214 -178.935 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 76' ' ' SER . . . . . . . . . . . . . 36.0 t -139.34 121.45 15.75 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.16 179.685 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 77' ' ' VAL . . . . . . . . . . . . . 94.4 t -99.59 110.72 27.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.156 -174.394 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 78' ' ' ASN . . . . . . . . . . . . . 77.1 m-20 -92.64 104.86 17.11 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.089 -0.505 . . . . 0.0 111.277 -179.771 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 79' ' ' LEU . . . . . . . . . . . . . 85.7 mt -96.91 133.65 41.27 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.224 -173.568 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 80' ' ' ASP . . . . . . . . . . . . . 67.4 t0 -83.65 104.65 13.94 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.185 174.558 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 81' ' ' VAL . . . . . . . . . . . . . 34.6 m -131.84 3.83 1.78 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.399 0 CA-C-N 116.307 -0.406 . . . . 0.0 111.235 -171.765 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 82' ' ' LYS . . . . . . . . . . . . . 88.3 tttt -47.37 -48.87 25.6 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.203 177.389 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 83' ' ' HIS . . . . . . . . . . . . . 20.8 p-80 -77.23 -20.54 55.11 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.2 -174.618 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 84' ' ' PHE . . . . . . . . . . . . . 20.3 m-30 -72.25 145.33 48.0 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.17 178.539 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 85' ' ' SER . . . . . 0.443 ' O ' ' N ' ' B' ' 89' ' ' LEU . 72.2 m -100.32 148.92 35.57 Favored Pre-proline 0 C--N 1.328 -0.342 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.207 175.422 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 86' ' ' PRO . . . . . . . . . . . . . 71.9 Cg_exo -54.16 -33.3 73.91 Favored 'Trans proline' 0 N--CA 1.458 -0.587 0 C-N-CA 121.715 1.61 . . . . 0.0 111.215 177.415 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 87' ' ' GLU . . . . . . . . . . . . . 99.2 mt-10 -80.28 -18.09 50.3 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.249 -179.854 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 88' ' ' GLU . . . . . . . . . . . . . 60.3 mt-10 -104.92 -13.55 15.76 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.236 178.936 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 89' ' ' LEU . . . . . 0.443 ' N ' ' O ' ' B' ' 85' ' ' SER . 58.7 tp -102.82 112.79 25.75 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.258 -169.227 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 90' ' ' LYS . . . . . . . . . . . . . 98.4 mttt -119.67 81.42 1.72 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.139 178.724 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 91' ' ' VAL . . . . . . . . . . . . . 86.9 t -90.58 127.46 43.05 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.385 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.201 177.314 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 92' ' ' LYS . . . . . 0.401 ' O ' ' N ' ' B' ' 99' ' ' GLU . 87.8 tttt -149.67 128.65 12.64 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.214 -171.78 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 93' ' ' VAL . . . . . . . . . . . . . 73.2 t -72.53 97.49 0.75 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.258 171.862 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 94' ' ' LEU . . . . . 0.544 ' O ' HG21 ' B' ' 97' ' ' VAL . 60.0 tp -97.44 78.42 2.68 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.202 -161.911 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 95' ' ' GLY . . . . . . . . . . . . . . . 70.22 -106.65 1.9 Allowed Glycine 0 CA--C 1.523 0.533 0 N-CA-C 111.294 -0.722 . . . . 0.0 111.294 175.575 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 96' ' ' ASP . . . . . . . . . . . . . 49.8 p-10 -95.81 2.39 53.76 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-O 120.789 0.328 . . . . 0.0 111.206 -177.765 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 97' ' ' VAL . . . . . 0.544 HG21 ' O ' ' B' ' 94' ' ' LEU . 32.9 m -128.7 175.2 10.71 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.27 172.395 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 98' ' ' ILE . . . . . . . . . . . . . 72.0 mt -117.03 92.11 2.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.19 174.591 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 99' ' ' GLU . . . . . 0.401 ' N ' ' O ' ' B' ' 92' ' ' LYS . 82.5 tt0 -62.42 130.67 46.28 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.197 -176.73 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 100' ' ' VAL . . . . . . . . . . . . . 30.5 t -119.48 91.81 1.95 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.179 166.608 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 101' ' ' HIS . . . . . . . . . . . . . 57.8 t-80 -102.98 64.72 0.86 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.246 -171.933 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 102' ' ' GLY . . . . . . . . . . . . . . . -95.1 176.43 34.41 Favored Glycine 0 CA--C 1.522 0.529 0 N-CA-C 111.215 -0.754 . . . . 0.0 111.215 -175.433 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 103' ' ' LYS . . . . . . . . . . . . . 64.8 pttt -174.76 154.94 2.04 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.769 0.319 . . . . 0.0 111.263 169.278 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 104' ' ' HIS . . . . . 0.587 ' HD1' ' C ' ' B' ' 104' ' ' HIS . 0.3 OUTLIER -134.3 102.62 5.42 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.162 168.139 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' B' B ' 105' ' ' GLU . . . . . . . . . . . . . 88.6 tt0 -81.4 144.47 31.4 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.195 179.5 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 106' ' ' GLU . . . . . . . . . . . . . 94.3 mt-10 63.05 53.18 2.38 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.217 -173.494 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 107' ' ' ARG . . . . . . . . . . . . . 60.3 ttt-85 -108.72 92.15 3.94 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.194 -174.176 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 108' ' ' GLN . . . . . . . . . . . . . 66.4 tt0 -58.51 120.33 8.63 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.136 177.762 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 109' ' ' ASP . . . . . . . . . . . . . 53.1 p30 -160.32 -149.7 0.2 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.221 -173.05 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 110' ' ' GLU . . . . . . . . . . . . . 88.5 tt0 -45.54 -67.43 0.28 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.137 -176.068 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 111' ' ' HIS . . . . . . . . . . . . . 97.9 m-70 -96.83 78.04 2.85 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.215 -174.884 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 112' ' ' GLY . . . . . . . . . . . . . . . 69.73 -111.8 4.07 Favored Glycine 0 CA--C 1.522 0.525 0 N-CA-C 111.14 -0.784 . . . . 0.0 111.14 -179.615 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 113' ' ' PHE . . . . . . . . . . . . . 46.5 p90 -138.16 153.89 49.18 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 120.798 0.332 . . . . 0.0 111.202 162.058 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 114' ' ' ILE . . . . . 0.418 ' CD1' ' C ' ' B' ' 114' ' ' ILE . 2.3 pp -120.8 164.87 16.87 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.203 -167.762 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 115' ' ' SER . . . . . . . . . . . . . 46.9 t -138.66 99.25 3.76 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.182 162.013 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 116' ' ' ARG . . . . . . . . . . . . . 89.1 mtm180 -112.96 111.51 22.31 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.16 -167.636 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 117' ' ' GLU . . . . . . . . . . . . . 86.3 tt0 -85.66 104.65 15.59 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.078 176.727 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 118' ' ' PHE . . . . . . . . . . . . . 74.6 m-85 -84.12 163.19 19.96 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.178 -173.814 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 119' ' ' HIS . . . . . . . . . . . . . 9.4 t-160 -163.64 62.34 0.17 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.169 178.741 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 120' ' ' ARG . . . . . . . . . . . . . 79.7 mtt-85 -84.29 103.13 13.22 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.22 -172.591 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 121' ' ' LYS . . . . . . . . . . . . . 97.3 mttt -85.61 85.48 7.41 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.238 175.39 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 122' ' ' TYR . . . . . 0.444 ' CD1' ' C ' ' B' ' 122' ' ' TYR . 4.7 t80 -81.19 109.96 16.23 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.156 179.356 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 123' ' ' ARG . . . . . 0.454 ' HA ' ' HA ' ' B' ' 97' ' ' VAL . 7.3 ttp180 -77.66 139.87 39.51 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.197 -159.982 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 124' ' ' ILE . . . . . . . . . . . . . 72.4 mt -89.56 133.55 34.26 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.219 -172.599 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 125' ' ' PRO . . . . . . . . . . . . . 77.5 Cg_exo -50.41 146.88 17.89 Favored 'Trans proline' 0 N--CA 1.459 -0.516 0 C-N-CA 121.615 1.543 . . . . 0.0 111.252 173.305 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 126' ' ' ALA . . . . . . . . . . . . . . . -61.94 -14.8 38.18 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.226 -177.154 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 127' ' ' ASP . . . . . . . . . . . . . 78.7 m-20 -99.65 -17.41 17.8 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.167 -175.446 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 128' ' ' VAL . . . . . . . . . . . . . 83.8 t -94.83 139.99 17.6 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.208 -178.768 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 129' ' ' ASP . . . . . . . . . . . . . 85.9 m-20 -109.86 154.56 42.52 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.169 179.063 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 130' ' ' PRO . . . . . . . . . . . . . 82.9 Cg_exo -53.19 -31.95 57.79 Favored 'Trans proline' 0 N--CA 1.458 -0.566 0 C-N-CA 121.699 1.599 . . . . 0.0 111.244 -179.89 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 131' ' ' LEU . . . . . . . . . . . . . 95.8 mt -81.84 -31.64 31.56 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.153 -174.712 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 132' ' ' THR . . . . . . . . . . . . . 82.0 p -72.45 -23.55 61.07 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.219 178.735 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 133' ' ' ILE . . . . . . . . . . . . . 93.9 mt -73.81 127.75 35.85 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.383 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.107 177.161 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 134' ' ' THR . . . . . . . . . . . . . 97.9 m -112.22 132.58 54.84 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.16 -178.78 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 135' ' ' SER . . . . . . . . . . . . . 30.1 t -111.63 130.52 55.73 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.317 -0.401 . . . . 0.0 111.25 179.947 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 136' ' ' SER . . . . . . . . . . . . . 42.6 t -141.84 127.0 18.5 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.188 -177.765 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 137' ' ' LEU . . . . . . . . . . . . . 63.3 tp -98.9 128.69 45.15 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.211 -176.026 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 138' ' ' SER . . . . . . . . . . . . . 59.6 p -86.65 166.11 15.61 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.214 177.405 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 139' ' ' SER . . . . . . . . . . . . . 87.8 p -76.77 -11.26 59.81 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.252 178.757 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 140' ' ' ASP . . . . . . . . . . . . . 89.3 m-20 -89.89 -1.84 58.06 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.05 -0.523 . . . . 0.0 111.222 178.905 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 141' ' ' GLY . . . . . . . . . . . . . . . 83.69 35.87 15.33 Favored Glycine 0 CA--C 1.523 0.534 0 N-CA-C 111.243 -0.743 . . . . 0.0 111.243 179.498 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 142' ' ' VAL . . . . . . . . . . . . . 60.5 t -115.6 108.15 24.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-O 120.867 0.365 . . . . 0.0 111.24 174.173 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 143' ' ' LEU . . . . . . . . . . . . . 62.3 tp -91.51 110.25 21.56 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.167 -177.661 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 144' ' ' THR . . . . . . . . . . . . . 97.6 m -96.48 115.43 27.41 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.162 -174.606 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 145' ' ' VAL . . . . . . . . . . . . . 60.3 t -120.28 113.32 39.98 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.121 -0.491 . . . . 0.0 111.255 -179.456 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 146' ' ' ASP . . . . . 0.716 ' OD1' ' O ' ' B' ' 146' ' ' ASP . 32.5 p30 -141.39 130.12 22.88 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.195 -159.008 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 147' ' ' GLY . . . . . . . . . . . . . . . -114.05 158.21 14.46 Favored Glycine 0 CA--C 1.522 0.526 0 N-CA-C 111.2 -0.76 . . . . 0.0 111.2 174.457 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 148' ' ' PRO . . . . . . . . . . . . . 56.4 Cg_endo -85.41 -45.62 0.05 OUTLIER 'Trans proline' 0 N--CA 1.457 -0.633 0 C-N-CA 121.8 1.667 . . . . 0.0 111.165 -162.79 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 149' ' ' ARG . . . . . . . . . . . . . 84.4 mtp180 -92.05 67.3 5.09 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.275 -0.421 . . . . 0.0 111.177 -163.527 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 150' ' ' LYS . . . . . . . . . . . . . 60.7 tptt -89.69 -54.7 3.95 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.295 -0.411 . . . . 0.0 111.109 176.613 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 151' ' ' GLN . . . . . . . . . . . . . 99.4 mm-40 -97.87 -24.25 15.5 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.219 176.706 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 152' ' ' VAL . . . . . . . . . . . . . 73.2 t . . . . . 0 C--O 1.219 -0.528 0 CA-C-O 118.327 -0.844 . . . . 0.0 111.254 174.873 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.523 0.58 0 N-CA-C 111.212 -0.755 . . . . 0.0 111.212 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . 0.412 ' HA ' ' HA ' ' A' ' 79' ' ' LEU . 7.1 mp -102.27 98.14 8.32 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.788 0.328 . . . . 0.0 111.221 -179.764 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 85.4 p -94.7 164.7 12.84 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.208 -175.543 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 24.4 pm0 -84.59 173.74 10.55 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.179 178.184 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 68' ' ' MET . . . . . . . . . . . . . 63.6 mtm -70.36 149.57 47.2 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.169 -0.468 . . . . 0.0 111.119 -178.164 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 79.7 ttt180 -125.01 97.18 5.15 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.186 -177.942 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 8.6 tt -96.77 106.07 18.31 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.194 175.938 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 71' ' ' GLU . . . . . 0.498 ' O ' ' C ' ' A' ' 72' ' ' LYS . 78.2 mm-40 -97.34 -177.25 3.77 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.245 176.769 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 72' ' ' LYS . . . . . 0.498 ' C ' ' O ' ' A' ' 71' ' ' GLU . 88.0 tttt -29.11 -57.35 0.14 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.21 -179.161 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 52.6 p-10 -137.92 42.2 2.28 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.168 -177.662 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 90.7 mmt-85 -137.21 171.19 14.87 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.305 -178.165 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 75' ' ' PHE . . . . . 0.538 ' CD2' ' O ' ' A' ' 75' ' ' PHE . 47.7 t80 -172.5 84.58 0.06 Allowed 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.189 174.886 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 82.5 p -112.53 172.88 6.65 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.198 -175.986 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 77' ' ' VAL . . . . . 0.447 HG11 ' H ' ' A' ' 145' ' ' VAL . 5.3 p -151.99 148.39 14.51 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.261 168.802 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 57.6 t-20 -137.32 107.96 6.58 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.284 -0.416 . . . . 0.0 111.182 -178.249 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 79' ' ' LEU . . . . . 0.412 ' HA ' ' HA ' ' A' ' 65' ' ' LEU . 1.1 pt? -131.44 152.93 50.25 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.101 -178.801 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 65.5 t0 -99.54 119.37 37.93 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.195 -170.028 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 17.6 m -131.63 43.77 0.6 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.127 174.336 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 64.1 pttt -70.11 -18.88 63.26 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.134 -178.023 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 96.4 m-70 -83.82 -7.23 59.5 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.283 178.111 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 84' ' ' PHE . . . . . . . . . . . . . 36.2 m-85 -106.24 170.8 7.71 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.22 -176.145 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 75.6 m -124.66 153.0 69.98 Favored Pre-proline 0 C--N 1.328 -0.327 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.126 -178.05 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 74.3 Cg_exo -54.86 -26.76 49.9 Favored 'Trans proline' 0 N--CA 1.459 -0.541 0 C-N-CA 121.637 1.558 . . . . 0.0 111.209 177.365 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 99.0 mt-10 -87.24 -25.15 24.13 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.141 -0.482 . . . . 0.0 111.261 176.961 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 98.5 mt-10 -95.69 -7.43 37.43 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.24 -178.023 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 2.0 pp -136.33 147.68 47.53 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.202 177.918 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 83.7 tttt -152.98 119.22 5.51 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.239 176.439 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 97.5 t -73.04 117.39 16.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.239 175.682 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 99.1 mttt -123.69 174.69 7.31 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.339 -0.392 . . . . 0.0 111.207 179.381 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 33.7 m -129.19 161.21 39.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.069 172.898 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 22.1 tp -147.48 69.24 1.14 Allowed 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.182 173.989 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 82.55 -104.29 2.5 Favored Glycine 0 CA--C 1.523 0.578 0 N-CA-C 111.184 -0.766 . . . . 0.0 111.184 -177.669 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 85.1 m-20 -96.56 11.71 34.22 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.842 0.353 . . . . 0.0 111.13 -174.007 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . 28.0 m -126.83 161.27 33.86 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.233 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.173 178.683 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 98' ' ' ILE . . . . . 0.413 ' HB ' ' HB2' ' A' ' 122' ' ' TYR . 59.1 mt -119.02 68.51 0.29 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.234 173.78 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 99' ' ' GLU . . . . . 0.602 ' O ' ' HG3' ' A' ' 99' ' ' GLU . 21.7 pt-20 -54.95 100.95 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.11 -174.437 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 100' ' ' VAL . . . . . . . . . . . . . 73.9 t -78.23 94.72 1.59 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.067 174.519 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 101' ' ' HIS . . . . . . . . . . . . . 9.3 t-160 -78.46 84.65 4.59 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.163 -0.472 . . . . 0.0 111.198 -173.485 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . -105.05 155.26 17.14 Favored Glycine 0 CA--C 1.523 0.57 0 N-CA-C 111.152 -0.779 . . . . 0.0 111.152 -179.114 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 64.6 pttt -166.99 127.65 1.56 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.908 0.385 . . . . 0.0 111.138 173.312 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 104' ' ' HIS . . . . . 0.467 ' HD1' HH21 ' A' ' 116' ' ' ARG . 23.0 t-160 -113.13 103.41 11.33 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.17 174.386 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 90.9 mt-10 -91.59 154.99 18.68 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.141 -0.482 . . . . 0.0 111.165 -176.637 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 94.7 mt-10 60.34 53.84 4.16 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.195 177.706 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 49.5 ttt85 -106.65 108.49 20.03 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.194 -169.886 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 108' ' ' GLN . . . . . . . . . . . . . 69.5 tp60 -69.76 124.98 25.37 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.17 176.269 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 58.0 p-10 -146.31 -167.55 2.77 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.086 -0.506 . . . . 0.0 111.126 177.486 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 24.9 pm0 -66.3 -20.15 66.02 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.289 -0.414 . . . . 0.0 111.129 -177.008 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 111' ' ' HIS . . . . . 0.414 ' O ' ' HA ' ' B' ' 122' ' ' TYR . 56.4 m-70 -83.62 -42.52 16.62 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.334 -0.394 . . . . 0.0 111.273 178.739 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 156.25 -119.64 0.93 Allowed Glycine 0 CA--C 1.524 0.608 0 N-CA-C 111.266 -0.734 . . . . 0.0 111.266 -170.611 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 113' ' ' PHE . . . . . 0.4 ' O ' ' HB2' ' B' ' 121' ' ' LYS . 55.7 m-85 -114.39 117.59 31.47 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.746 0.308 . . . . 0.0 111.241 162.976 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 114' ' ' ILE . . . . . 0.444 HG22 ' HA ' ' B' ' 120' ' ' ARG . 46.3 pt -104.92 170.24 2.06 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.374 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.256 172.481 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 34.8 t -144.23 83.34 1.73 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.141 -0.482 . . . . 0.0 111.22 -176.955 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 116' ' ' ARG . . . . . 0.467 HH21 ' HD1' ' A' ' 104' ' ' HIS . 90.5 mtm180 -72.14 135.05 46.07 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.321 -0.4 . . . . 0.0 111.306 -172.555 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 87.5 tt0 -144.23 135.49 25.52 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.209 171.357 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 118' ' ' PHE . . . . . . . . . . . . . 23.3 p90 -161.24 168.43 24.12 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.215 -174.99 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 119' ' ' HIS . . . . . 0.83 ' ND1' ' O ' ' A' ' 119' ' ' HIS . 18.0 p80 -143.26 81.51 1.71 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.248 174.953 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 120' ' ' ARG . . . . . 0.445 ' HA ' HG22 ' B' ' 114' ' ' ILE . 87.0 mtt-85 -68.15 93.81 0.47 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.227 -163.639 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 121' ' ' LYS . . . . . . . . . . . . . 97.3 mttt -68.09 76.6 0.23 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.151 -179.532 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 122' ' ' TYR . . . . . 0.417 ' HA ' ' O ' ' B' ' 111' ' ' HIS . 40.4 m-85 -59.49 106.86 0.5 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.16 174.461 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 123' ' ' ARG . . . . . . . . . . . . . 14.8 tpt180 -78.78 113.58 16.98 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.197 -167.974 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 124' ' ' ILE . . . . . . . . . . . . . 85.2 mt -71.15 121.16 83.4 Favored Pre-proline 0 C--N 1.33 -0.247 0 CA-C-N 116.11 -0.495 . . . . 0.0 111.168 -175.152 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 125' ' ' PRO . . . . . . . . . . . . . 78.6 Cg_exo -51.09 143.55 31.61 Favored 'Trans proline' 0 N--CA 1.458 -0.617 0 C-N-CA 121.646 1.564 . . . . 0.0 111.243 174.196 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . -62.49 -13.82 34.69 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.205 -176.047 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 127' ' ' ASP . . . . . . . . . . . . . 83.0 m-20 -99.25 13.93 31.34 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.257 -177.347 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 128' ' ' VAL . . . . . . . . . . . . . 82.4 t -121.63 133.86 66.76 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.241 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.226 -179.397 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 64.0 t0 -84.02 119.37 73.3 Favored Pre-proline 0 C--N 1.33 -0.269 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.166 178.594 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 130' ' ' PRO . . . . . . . . . . . . . 46.8 Cg_endo -70.56 -14.23 33.38 Favored 'Trans proline' 0 N--CA 1.459 -0.545 0 C-N-CA 121.696 1.598 . . . . 0.0 111.208 -174.665 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 131' ' ' LEU . . . . . . . . . . . . . 95.9 mt -88.53 -1.48 58.08 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.223 -178.792 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 132' ' ' THR . . . . . . . . . . . . . 76.6 p -110.39 4.06 20.3 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.219 -178.73 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 133' ' ' ILE . . . . . . . . . . . . . 88.0 mt -95.09 121.84 46.02 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.276 -173.656 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 134' ' ' THR . . . . . . . . . . . . . 54.9 p -107.71 172.8 6.62 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.179 176.846 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 135' ' ' SER . . . . . . . . . . . . . 34.3 t -150.09 140.28 22.16 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.161 -177.816 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 136' ' ' SER . . . . . . . . . . . . . 89.9 p -148.61 156.36 42.31 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.331 -0.395 . . . . 0.0 111.186 179.106 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 137' ' ' LEU . . . . . . . . . . . . . 66.0 tp -134.27 119.35 18.62 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.237 -177.261 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 138' ' ' SER . . . . . . . . . . . . . 60.2 p -78.72 167.25 21.48 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 116.314 -0.403 . . . . 0.0 111.23 -178.99 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 139' ' ' SER . . . . . . . . . . . . . 86.2 p -70.11 -17.77 63.22 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.157 176.534 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 140' ' ' ASP . . . . . . . . . . . . . 93.4 m-20 -82.67 -10.3 58.99 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.201 176.988 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 141' ' ' GLY . . . . . . . . . . . . . . . 94.64 19.02 33.24 Favored Glycine 0 CA--C 1.524 0.615 0 N-CA-C 111.217 -0.753 . . . . 0.0 111.217 177.303 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 142' ' ' VAL . . . . . . . . . . . . . 68.2 t -84.44 101.77 9.45 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-O 120.7 0.286 . . . . 0.0 111.184 178.318 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 143' ' ' LEU . . . . . . . . . . . . . 60.1 tp -92.33 117.79 30.26 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.289 -0.414 . . . . 0.0 111.21 -179.363 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 144' ' ' THR . . . . . . . . . . . . . 98.8 m -121.84 126.9 49.83 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.13 -175.051 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 145' ' ' VAL . . . . . 0.447 ' H ' HG11 ' A' ' 77' ' ' VAL . 48.4 t -128.15 121.62 56.28 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.211 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.186 177.301 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 146' ' ' ASP . . . . . . . . . . . . . 61.8 t0 -152.93 123.39 7.2 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.264 -162.808 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 147' ' ' GLY . . . . . . . . . . . . . . . -139.83 131.16 5.01 Favored Glycine 0 CA--C 1.524 0.606 0 N-CA-C 111.245 -0.742 . . . . 0.0 111.245 174.888 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 148' ' ' PRO . . . . . . . . . . . . . 73.9 Cg_exo -54.04 146.38 48.24 Favored 'Trans proline' 0 N--CA 1.458 -0.605 0 C-N-CA 121.687 1.591 . . . . 0.0 111.219 177.526 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 149' ' ' ARG . . . . . . . . . . . . . 82.0 mtp180 -57.65 165.17 1.73 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.156 -179.471 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 150' ' ' LYS . . . . . . . . . . . . . 57.5 pttt -69.88 -16.1 63.19 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.246 -178.116 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 151' ' ' GLN . . . . . . . . . . . . . 99.4 mm-40 -88.14 -4.88 58.69 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.167 179.963 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 152' ' ' VAL . . . . . . . . . . . . . 94.3 t . . . . . 0 C--O 1.221 -0.441 0 CA-C-O 117.93 -1.033 . . . . 0.0 111.33 179.78 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' B' B ' 64' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.524 0.616 0 N-CA-C 111.138 -0.785 . . . . 0.0 111.138 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' B' B ' 65' ' ' LEU . . . . . 0.406 ' HA ' ' HA ' ' B' ' 79' ' ' LEU . 7.1 mp -102.19 98.2 8.39 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-O 120.761 0.315 . . . . 0.0 111.196 -179.744 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 66' ' ' SER . . . . . . . . . . . . . 85.4 p -94.73 164.74 12.82 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.128 -175.486 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 67' ' ' GLU . . . . . . . . . . . . . 24.4 pm0 -84.75 173.8 10.4 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.236 178.166 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 68' ' ' MET . . . . . . . . . . . . . 63.0 mtm -70.21 149.52 47.4 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.242 -178.195 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 69' ' ' ARG . . . . . . . . . . . . . 79.7 ttt180 -125.04 97.08 5.1 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.271 -177.974 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 70' ' ' LEU . . . . . . . . . . . . . 8.6 tt -96.68 106.14 18.36 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.06 176.102 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 71' ' ' GLU . . . . . 0.492 ' O ' ' C ' ' B' ' 72' ' ' LYS . 78.1 mm-40 -97.34 -177.22 3.75 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.257 -0.428 . . . . 0.0 111.176 176.707 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 72' ' ' LYS . . . . . 0.492 ' C ' ' O ' ' B' ' 71' ' ' GLU . 88.0 tttt -29.11 -57.36 0.14 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.147 -179.218 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 73' ' ' ASP . . . . . . . . . . . . . 52.6 p-10 -137.93 42.15 2.28 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.201 -177.581 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 74' ' ' ARG . . . . . . . . . . . . . 90.6 mmt-85 -137.24 171.15 14.91 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.089 -178.003 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 75' ' ' PHE . . . . . 0.531 ' CD2' ' O ' ' B' ' 75' ' ' PHE . 47.4 t80 -172.51 84.58 0.06 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.072 -0.513 . . . . 0.0 111.228 174.729 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 76' ' ' SER . . . . . . . . . . . . . 82.4 p -112.44 172.91 6.63 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.155 -175.976 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 77' ' ' VAL . . . . . 0.443 HG11 ' H ' ' B' ' 145' ' ' VAL . 5.1 p -151.96 148.39 14.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.273 168.775 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 78' ' ' ASN . . . . . . . . . . . . . 57.6 t-20 -137.36 108.01 6.59 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.157 -178.315 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 79' ' ' LEU . . . . . 0.406 ' HA ' ' HA ' ' B' ' 65' ' ' LEU . 1.0 OUTLIER -131.47 152.94 50.27 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.145 -178.821 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' B' B ' 80' ' ' ASP . . . . . . . . . . . . . 65.4 t0 -99.51 119.34 37.87 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.196 -169.985 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 81' ' ' VAL . . . . . . . . . . . . . 17.8 m -131.63 43.79 0.59 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.39 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.176 174.256 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 82' ' ' LYS . . . . . . . . . . . . . 64.0 pttt -69.98 -18.91 63.36 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.197 -178.137 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 83' ' ' HIS . . . . . . . . . . . . . 96.4 m-70 -83.76 -7.47 59.46 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.173 178.219 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 84' ' ' PHE . . . . . . . . . . . . . 37.1 m-85 -106.14 170.92 7.63 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.145 -176.1 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 85' ' ' SER . . . . . . . . . . . . . 75.7 m -124.73 152.99 70.22 Favored Pre-proline 0 C--N 1.328 -0.333 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.218 -178.155 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 86' ' ' PRO . . . . . . . . . . . . . 75.1 Cg_exo -54.84 -26.83 50.0 Favored 'Trans proline' 0 N--CA 1.459 -0.528 0 C-N-CA 121.602 1.534 . . . . 0.0 111.178 177.408 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 87' ' ' GLU . . . . . . . . . . . . . 99.1 mt-10 -87.23 -25.11 24.15 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.259 176.992 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 88' ' ' GLU . . . . . . . . . . . . . 98.5 mt-10 -95.64 -7.38 37.75 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.234 -178.083 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 89' ' ' LEU . . . . . . . . . . . . . 2.0 pp -136.38 147.62 47.42 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.164 178.03 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 90' ' ' LYS . . . . . . . . . . . . . 83.8 tttt -152.97 119.17 5.5 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.142 176.494 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 91' ' ' VAL . . . . . . . . . . . . . 97.0 t -73.07 117.45 16.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.187 175.658 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 92' ' ' LYS . . . . . . . . . . . . . 99.2 mttt -123.71 174.68 7.32 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.24 -0.437 . . . . 0.0 111.296 179.325 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 93' ' ' VAL . . . . . . . . . . . . . 33.7 m -129.22 161.32 38.87 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.275 -0.42 . . . . 0.0 111.15 172.829 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 94' ' ' LEU . . . . . . . . . . . . . 22.0 tp -147.56 69.18 1.14 Allowed 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.142 174.118 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 95' ' ' GLY . . . . . . . . . . . . . . . 82.64 -104.29 2.51 Favored Glycine 0 CA--C 1.523 0.553 0 N-CA-C 111.196 -0.762 . . . . 0.0 111.196 -177.64 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 96' ' ' ASP . . . . . . . . . . . . . 84.9 m-20 -96.59 11.62 34.58 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-O 120.941 0.4 . . . . 0.0 111.206 -174.023 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 97' ' ' VAL . . . . . . . . . . . . . 28.8 m -126.8 161.33 33.66 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.222 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.222 178.592 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 98' ' ' ILE . . . . . 0.413 ' HB ' ' HB2' ' B' ' 122' ' ' TYR . 58.8 mt -119.03 68.47 0.29 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.193 173.82 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 99' ' ' GLU . . . . . 0.601 ' O ' ' HG3' ' B' ' 99' ' ' GLU . 21.8 pt-20 -54.92 100.88 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.246 -174.541 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 100' ' ' VAL . . . . . . . . . . . . . 72.4 t -78.05 94.44 1.51 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.369 0 CA-C-N 116.268 -0.423 . . . . 0.0 111.2 174.556 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 101' ' ' HIS . . . . . . . . . . . . . 9.2 t-160 -78.23 84.6 4.43 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.145 -173.406 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 102' ' ' GLY . . . . . . . . . . . . . . . -105.03 155.29 17.14 Favored Glycine 0 CA--C 1.523 0.536 0 N-CA-C 111.243 -0.743 . . . . 0.0 111.243 -179.297 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 103' ' ' LYS . . . . . 0.4 ' HA ' ' O ' ' B' ' 116' ' ' ARG . 64.6 pttt -166.88 127.64 1.59 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.812 0.339 . . . . 0.0 111.179 173.303 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 104' ' ' HIS . . . . . 0.475 ' HD1' HH21 ' B' ' 116' ' ' ARG . 23.0 t-160 -113.04 103.28 11.22 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.157 174.417 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 105' ' ' GLU . . . . . . . . . . . . . 90.9 mt-10 -91.53 154.94 18.75 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.303 -0.408 . . . . 0.0 111.237 -176.658 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 106' ' ' GLU . . . . . . . . . . . . . 94.8 mt-10 60.43 53.68 4.15 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.296 -0.411 . . . . 0.0 111.318 177.771 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 107' ' ' ARG . . . . . . . . . . . . . 49.5 ttt85 -106.65 108.4 19.88 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.196 -169.766 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 108' ' ' GLN . . . . . . . . . . . . . 69.6 tp60 -69.58 124.84 24.97 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.275 176.224 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 109' ' ' ASP . . . . . . . . . . . . . 58.1 p-10 -146.12 -167.48 2.74 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.173 177.471 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 110' ' ' GLU . . . . . . . . . . . . . 24.9 pm0 -66.42 -20.1 65.97 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.147 -177.067 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 111' ' ' HIS . . . . . 0.417 ' O ' ' HA ' ' A' ' 122' ' ' TYR . 56.8 m-70 -83.69 -42.53 16.51 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.275 -0.42 . . . . 0.0 111.23 178.771 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 112' ' ' GLY . . . . . . . . . . . . . . . 156.28 -119.87 0.95 Allowed Glycine 0 CA--C 1.522 0.53 0 N-CA-C 111.164 -0.775 . . . . 0.0 111.164 -170.547 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 113' ' ' PHE . . . . . . . . . . . . . 55.3 m-85 -114.27 117.77 32.05 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-O 120.865 0.364 . . . . 0.0 111.145 162.934 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 114' ' ' ILE . . . . . 0.445 HG22 ' HA ' ' A' ' 120' ' ' ARG . 46.5 pt -105.03 170.22 2.08 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.202 172.421 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 115' ' ' SER . . . . . . . . . . . . . 35.1 t -144.2 83.37 1.73 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.181 -177.034 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 116' ' ' ARG . . . . . 0.475 HH21 ' HD1' ' B' ' 104' ' ' HIS . 90.5 mtm180 -71.97 135.09 46.31 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.31 -0.404 . . . . 0.0 111.332 -172.664 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 117' ' ' GLU . . . . . . . . . . . . . 87.5 tt0 -144.27 135.31 25.29 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.27 171.405 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 118' ' ' PHE . . . . . . . . . . . . . 23.5 p90 -161.15 168.39 24.36 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.208 -174.969 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 119' ' ' HIS . . . . . 0.849 ' O ' ' ND1' ' B' ' 119' ' ' HIS . 17.9 p80 -143.22 81.47 1.71 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.21 174.896 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 120' ' ' ARG . . . . . 0.444 ' HA ' HG22 ' A' ' 114' ' ' ILE . 87.0 mtt-85 -68.14 93.92 0.47 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.187 -163.638 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 121' ' ' LYS . . . . . 0.4 ' HB2' ' O ' ' A' ' 113' ' ' PHE . 97.3 mttt -68.04 76.53 0.23 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.163 -0.472 . . . . 0.0 111.188 -179.603 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 122' ' ' TYR . . . . . 0.414 ' HA ' ' O ' ' A' ' 111' ' ' HIS . 40.5 m-85 -59.58 106.86 0.51 Allowed 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.233 174.488 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 123' ' ' ARG . . . . . . . . . . . . . 14.8 tpt180 -78.6 113.66 16.83 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.176 -167.953 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 124' ' ' ILE . . . . . . . . . . . . . 84.9 mt -71.3 121.05 83.16 Favored Pre-proline 0 C--N 1.327 -0.379 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.178 -175.2 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 125' ' ' PRO . . . . . . . . . . . . . 78.1 Cg_exo -50.96 143.44 30.79 Favored 'Trans proline' 0 C--N 1.327 -0.554 0 C-N-CA 121.772 1.648 . . . . 0.0 111.178 174.227 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 126' ' ' ALA . . . . . . . . . . . . . . . -62.6 -13.68 34.17 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.102 -176.034 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 127' ' ' ASP . . . . . . . . . . . . . 83.3 m-20 -99.3 13.92 31.41 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.216 -177.39 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 128' ' ' VAL . . . . . . . . . . . . . 82.6 t -121.57 133.8 66.9 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.174 -179.293 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 129' ' ' ASP . . . . . . . . . . . . . 64.0 t0 -83.94 119.33 73.3 Favored Pre-proline 0 C--N 1.328 -0.352 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.161 178.541 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 130' ' ' PRO . . . . . . . . . . . . . 47.3 Cg_endo -70.52 -14.37 33.61 Favored 'Trans proline' 0 N--CA 1.458 -0.598 0 C-N-CA 121.707 1.605 . . . . 0.0 111.27 -174.751 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 131' ' ' LEU . . . . . . . . . . . . . 95.7 mt -88.53 -1.23 57.94 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.258 -178.83 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 132' ' ' THR . . . . . . . . . . . . . 74.7 p -110.55 4.12 20.07 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.175 -178.796 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 133' ' ' ILE . . . . . . . . . . . . . 88.3 mt -95.17 121.89 46.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.223 -173.681 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 134' ' ' THR . . . . . . . . . . . . . 55.9 p -107.77 172.77 6.64 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.215 176.734 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 135' ' ' SER . . . . . . . . . . . . . 34.7 t -150.03 140.29 22.22 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.231 -177.797 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 136' ' ' SER . . . . . . . . . . . . . 89.0 p -148.53 156.24 42.18 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.277 -0.42 . . . . 0.0 111.202 179.173 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 137' ' ' LEU . . . . . . . . . . . . . 66.1 tp -134.22 119.46 18.81 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.257 -177.352 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 138' ' ' SER . . . . . . . . . . . . . 60.2 p -78.8 167.29 21.4 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.314 -0.403 . . . . 0.0 111.214 -178.88 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 139' ' ' SER . . . . . . . . . . . . . 86.6 p -70.16 -17.61 63.18 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.24 176.545 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 140' ' ' ASP . . . . . . . . . . . . . 93.4 m-20 -82.92 -10.12 58.97 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.174 177.046 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 141' ' ' GLY . . . . . . . . . . . . . . . 94.55 19.06 33.38 Favored Glycine 0 CA--C 1.522 0.479 0 N-CA-C 111.252 -0.739 . . . . 0.0 111.252 177.277 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 142' ' ' VAL . . . . . . . . . . . . . 67.9 t -84.48 101.68 9.37 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.23 0 CA-C-O 120.69 0.281 . . . . 0.0 111.172 178.328 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 143' ' ' LEU . . . . . . . . . . . . . 60.1 tp -92.3 117.72 30.17 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.23 -179.348 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 144' ' ' THR . . . . . . . . . . . . . 98.7 m -121.66 126.89 50.07 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.267 -175.058 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 145' ' ' VAL . . . . . 0.443 ' H ' HG11 ' B' ' 77' ' ' VAL . 48.6 t -128.24 121.57 56.01 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 116.335 -0.393 . . . . 0.0 111.235 177.358 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 146' ' ' ASP . . . . . . . . . . . . . 61.8 t0 -153.0 123.37 7.15 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.297 -0.41 . . . . 0.0 111.279 -162.703 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 147' ' ' GLY . . . . . . . . . . . . . . . -139.82 131.22 5.04 Favored Glycine 0 CA--C 1.524 0.631 0 N-CA-C 111.189 -0.765 . . . . 0.0 111.189 174.982 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 148' ' ' PRO . . . . . . . . . . . . . 74.9 Cg_exo -54.23 146.35 50.38 Favored 'Trans proline' 0 N--CA 1.457 -0.627 0 C-N-CA 121.622 1.548 . . . . 0.0 111.172 177.614 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 149' ' ' ARG . . . . . . . . . . . . . 81.9 mtp180 -57.36 165.08 1.58 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.232 -179.571 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 150' ' ' LYS . . . . . . . . . . . . . 57.6 pttt -69.97 -15.98 63.12 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.268 -178.245 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 151' ' ' GLN . . . . . . . . . . . . . 99.4 mm-40 -88.07 -4.93 58.71 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.252 179.817 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 152' ' ' VAL . . . . . . . . . . . . . 94.0 t . . . . . 0 C--O 1.22 -0.486 0 CA-C-O 117.957 -1.021 . . . . 0.0 111.183 179.852 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 89.2 tt0 . . . . . 0 CA--C 1.523 -0.089 0 CA-C-O 120.8 0.333 . . . . 0.0 111.22 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 68' ' ' MET . . . . . . . . . . . . . 64.9 ttp -102.36 132.72 48.17 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.162 166.934 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 55.3 ttp180 -158.54 128.41 5.86 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.067 -0.515 . . . . 0.0 111.212 178.447 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 65.6 tp -77.68 109.49 11.71 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.322 -0.399 . . . . 0.0 111.136 166.293 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 71' ' ' GLU . . . . . 0.482 ' O ' ' C ' ' A' ' 72' ' ' LYS . 79.5 mm-40 -68.99 -179.25 1.43 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.101 -0.5 . . . . 0.0 111.235 179.075 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 72' ' ' LYS . . . . . 0.482 ' C ' ' O ' ' A' ' 71' ' ' GLU . 87.9 tttt -29.53 -59.97 0.15 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.123 177.588 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 57.6 p-10 -146.45 46.41 1.21 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.2 176.331 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 74' ' ' ARG . . . . . 0.428 ' HA ' ' HA ' ' A' ' 148' ' ' PRO . 79.2 ttt180 -160.49 127.7 4.36 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.227 -175.732 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 75' ' ' PHE . . . . . . . . . . . . . 37.7 t80 -96.46 117.98 32.02 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.154 -177.937 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 90.1 p -132.81 147.92 52.31 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.217 -177.708 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 77' ' ' VAL . . . . . 0.491 ' O ' ' HA ' ' A' ' 144' ' ' THR . 87.9 t -139.95 136.36 38.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.162 179.256 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 93.6 m-20 -105.56 147.09 28.78 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.207 166.053 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 79' ' ' LEU . . . . . 0.476 ' HB2' ' HB3' ' A' ' 143' ' ' LEU . 73.7 mt -143.14 146.27 33.58 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.206 -173.231 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 58.8 t0 -82.02 113.26 19.78 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.247 -178.811 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 81' ' ' VAL . . . . . 0.741 ' O ' HG12 ' A' ' 81' ' ' VAL . 62.0 t -134.39 45.65 0.48 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.102 170.535 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 82' ' ' LYS . . . . . 0.47 ' HA ' ' HA3' ' A' ' 141' ' ' GLY . 98.5 mttt -78.17 -28.93 48.37 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.158 -165.8 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 41.8 m80 -121.34 3.69 10.29 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.288 -0.415 . . . . 0.0 111.167 -162.654 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 84' ' ' PHE . . . . . 0.442 ' CD1' ' HB2' ' A' ' 104' ' ' HIS . 40.8 p90 -146.31 -179.18 6.56 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.202 177.342 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 85' ' ' SER . . . . . 0.469 ' HB3' ' HD2' ' A' ' 86' ' ' PRO . 69.4 m -128.76 166.92 21.45 Favored Pre-proline 0 C--N 1.328 -0.344 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.212 -154.336 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 86' ' ' PRO . . . . . 0.469 ' HD2' ' HB3' ' A' ' 85' ' ' SER . 87.0 Cg_exo -51.96 -30.24 38.76 Favored 'Trans proline' 0 N--CA 1.457 -0.664 0 C-N-CA 121.665 1.577 . . . . 0.0 111.268 177.807 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 99.8 mt-10 -65.91 -34.9 79.18 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.181 -176.952 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 93.7 mt-10 -103.49 -5.79 22.45 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.16 177.675 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 89' ' ' LEU . . . . . 0.458 ' HB3' ' HA ' ' A' ' 86' ' ' PRO . 46.5 tp -94.21 96.74 9.79 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.123 178.835 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 98.8 mttt -95.63 74.57 3.21 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.18 -173.1 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 97.3 t -61.19 102.68 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.128 174.729 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 99.1 mttt -118.83 150.85 39.13 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.223 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 35.2 m -129.12 152.62 37.47 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.207 171.372 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 94' ' ' LEU . . . . . 0.48 ' HB2' ' HB ' ' A' ' 97' ' ' VAL . 75.5 mt -133.28 74.35 1.56 Allowed 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.233 179.175 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 81.16 -104.64 2.37 Favored Glycine 0 CA--C 1.523 0.593 0 N-CA-C 111.183 -0.767 . . . . 0.0 111.183 179.925 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 48.5 p-10 -97.57 29.86 3.14 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 120.84 0.352 . . . . 0.0 111.163 171.041 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 97' ' ' VAL . . . . . 0.48 ' HB ' ' HB2' ' A' ' 94' ' ' LEU . 99.7 t -124.32 139.85 49.41 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.379 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.253 -177.153 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 98' ' ' ILE . . . . . . . . . . . . . 63.8 mt -118.57 92.74 2.23 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.385 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.13 175.924 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 99' ' ' GLU . . . . . 0.469 ' HA ' ' HA ' ' A' ' 121' ' ' LYS . 84.5 tt0 -97.64 87.83 4.18 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.191 179.555 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 100' ' ' VAL . . . . . 0.505 ' HB ' ' HB2' ' A' ' 120' ' ' ARG . 58.7 t -77.98 73.18 0.55 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.188 176.193 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 101' ' ' HIS . . . . . 0.626 ' O ' ' ND1' ' A' ' 101' ' ' HIS . 15.7 t-80 -60.78 75.66 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.128 175.313 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 102' ' ' GLY . . . . . 0.42 ' N ' ' O ' ' A' ' 100' ' ' VAL . . . -66.87 170.25 33.25 Favored Glycine 0 CA--C 1.524 0.638 0 N-CA-C 111.185 -0.766 . . . . 0.0 111.185 172.324 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 103' ' ' LYS . . . . . 0.422 ' HA ' ' HA ' ' A' ' 117' ' ' GLU . 37.9 ttpt -168.91 124.48 0.91 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.752 0.311 . . . . 0.0 111.177 174.596 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 104' ' ' HIS . . . . . 0.442 ' HB2' ' CD1' ' A' ' 84' ' ' PHE . 23.3 t-160 -111.21 108.47 18.13 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.3 163.053 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 91.2 mt-10 -93.53 166.73 12.11 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.164 174.858 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 95.1 mt-10 49.58 60.27 3.91 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.217 -179.646 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 107' ' ' ARG . . . . . 0.491 ' HB3' HG13 ' A' ' 114' ' ' ILE . 55.7 ttt85 -109.84 90.77 3.41 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.305 -0.407 . . . . 0.0 111.189 -173.028 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 108' ' ' GLN . . . . . . . . . . . . . 90.2 mt-30 -60.37 137.3 58.16 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.142 175.927 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 56.1 p30 -154.61 -147.75 0.22 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.246 177.193 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 58.9 mp0 -66.98 -18.69 65.5 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.235 -0.438 . . . . 0.0 111.195 -174.548 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 111' ' ' HIS . . . . . . . . . . . . . 23.5 p-80 -135.14 94.73 3.17 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.119 174.87 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 41.03 -139.37 1.48 Allowed Glycine 0 CA--C 1.524 0.612 0 N-CA-C 111.212 -0.755 . . . . 0.0 111.212 179.954 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 113' ' ' PHE . . . . . . . . . . . . . 66.7 m-85 -86.35 150.15 24.54 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.826 0.346 . . . . 0.0 111.294 -178.444 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 114' ' ' ILE . . . . . 0.491 HG13 ' HB3' ' A' ' 107' ' ' ARG . 34.2 pt -134.35 -161.56 0.28 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.15 161.156 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 115' ' ' SER . . . . . 0.455 ' O ' ' HA ' ' B' ' 118' ' ' PHE . 37.7 t -158.63 143.81 16.32 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.256 168.389 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 116' ' ' ARG . . . . . . . . . . . . . 69.5 mtm180 -111.41 84.34 1.93 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.087 175.986 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 117' ' ' GLU . . . . . 0.423 ' HB3' ' HB3' ' B' ' 117' ' ' GLU . 87.2 tt0 -95.59 117.29 30.17 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.081 -0.509 . . . . 0.0 111.157 179.866 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 118' ' ' PHE . . . . . 0.448 ' HA ' ' O ' ' B' ' 115' ' ' SER . 77.4 m-85 -102.81 157.92 16.62 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.077 -165.813 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 119' ' ' HIS . . . . . . . . . . . . . 79.5 m80 -130.8 66.03 1.53 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.201 164.559 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 120' ' ' ARG . . . . . 0.505 ' HB2' ' HB ' ' A' ' 100' ' ' VAL . 89.2 mtt180 -76.57 73.2 3.28 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.229 -162.592 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 121' ' ' LYS . . . . . 0.469 ' HA ' ' HA ' ' A' ' 99' ' ' GLU . 39.8 ttmt -93.88 96.6 9.83 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.262 -171.329 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 122' ' ' TYR . . . . . . . . . . . . . 41.1 p90 -121.83 145.1 48.4 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.052 -0.522 . . . . 0.0 111.154 173.543 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 123' ' ' ARG . . . . . 0.404 ' HG3' HG22 ' A' ' 97' ' ' VAL . 9.9 mpt_? -94.11 159.51 15.12 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.264 -0.425 . . . . 0.0 111.175 -164.684 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 124' ' ' ILE . . . . . . . . . . . . . 68.1 mt -89.21 127.17 56.29 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.089 177.383 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 125' ' ' PRO . . . . . . . . . . . . . 81.8 Cg_exo -48.87 140.14 23.92 Favored 'Trans proline' 0 C--N 1.328 -0.539 0 C-N-CA 121.734 1.623 . . . . 0.0 111.192 174.024 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . -60.38 -16.43 35.41 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.142 -176.191 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 127' ' ' ASP . . . . . . . . . . . . . 78.0 m-20 -101.55 16.57 25.28 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.264 -0.425 . . . . 0.0 111.231 -177.736 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 128' ' ' VAL . . . . . . . . . . . . . 92.8 t -127.61 133.47 67.62 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.251 -179.569 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 64.8 t0 -85.47 118.43 70.69 Favored Pre-proline 0 C--N 1.328 -0.327 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.196 -176.186 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 130' ' ' PRO . . . . . . . . . . . . . 82.7 Cg_exo -52.62 -33.66 59.84 Favored 'Trans proline' 0 N--CA 1.458 -0.574 0 C-N-CA 121.676 1.584 . . . . 0.0 111.19 179.903 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 131' ' ' LEU . . . . . . . . . . . . . 95.8 mt -72.95 -22.27 60.74 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.197 -173.24 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 132' ' ' THR . . . . . . . . . . . . . 81.4 p -90.7 -4.05 57.03 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.147 -178.395 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 133' ' ' ILE . . . . . 0.424 ' HA ' ' HA3' ' A' ' 147' ' ' GLY . 99.3 mt -88.72 121.48 38.97 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.314 -0.403 . . . . 0.0 111.221 179.488 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 134' ' ' THR . . . . . . . . . . . . . 92.8 m -127.07 134.93 50.18 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.181 -178.805 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 135' ' ' SER . . . . . . . . . . . . . 79.5 p -89.57 159.13 17.35 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.305 -0.407 . . . . 0.0 111.274 178.343 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 136' ' ' SER . . . . . . . . . . . . . 43.4 t -159.47 122.39 3.58 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.224 179.345 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 137' ' ' LEU . . . . . . . . . . . . . 69.1 tp -102.25 120.61 40.76 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.216 -176.099 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 138' ' ' SER . . . . . . . . . . . . . 74.8 p -81.56 167.01 19.74 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.176 -177.227 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 139' ' ' SER . . . . . . . . . . . . . 86.1 p -69.6 -18.97 63.66 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.174 176.847 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 140' ' ' ASP . . . . . . . . . . . . . 91.5 m-20 -83.5 -7.16 59.59 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.168 176.602 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 141' ' ' GLY . . . . . 0.47 ' HA3' ' HA ' ' A' ' 82' ' ' LYS . . . 82.94 45.25 6.77 Favored Glycine 0 CA--C 1.524 0.633 0 N-CA-C 111.155 -0.778 . . . . 0.0 111.155 179.407 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 142' ' ' VAL . . . . . . . . . . . . . 67.6 t -118.83 113.98 43.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-O 120.729 0.3 . . . . 0.0 111.261 171.767 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 143' ' ' LEU . . . . . 0.476 ' HB3' ' HB2' ' A' ' 79' ' ' LEU . 38.1 tp -89.79 117.41 28.61 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.191 179.519 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 144' ' ' THR . . . . . 0.491 ' HA ' ' O ' ' A' ' 77' ' ' VAL . 99.9 m -107.74 109.51 21.1 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.217 -175.929 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 145' ' ' VAL . . . . . . . . . . . . . 62.6 t -106.63 109.54 28.41 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.389 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.246 -179.993 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 146' ' ' ASP . . . . . 0.484 ' C ' ' OD1' ' A' ' 146' ' ' ASP . 23.6 t0 -148.01 119.17 7.75 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.079 -161.54 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 147' ' ' GLY . . . . . 0.424 ' HA3' ' HA ' ' A' ' 133' ' ' ILE . . . -137.12 133.06 6.26 Favored Glycine 0 CA--C 1.525 0.71 0 N-CA-C 111.069 -0.812 . . . . 0.0 111.069 171.067 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 148' ' ' PRO . . . . . 0.428 ' HA ' ' HA ' ' A' ' 74' ' ' ARG . 50.1 Cg_exo -60.05 162.63 16.04 Favored 'Trans proline' 0 N--CA 1.458 -0.6 0 C-N-CA 121.657 1.572 . . . . 0.0 111.275 178.369 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 149' ' ' ARG . . . . . . . . . . . . . 95.8 mtt180 . . . . . 0 C--N 1.329 -0.295 0 CA-C-N 116.282 -0.417 . . . . 0.0 111.215 179.194 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' B' B ' 67' ' ' GLU . . . . . . . . . . . . . 89.2 tt0 . . . . . 0 C--O 1.23 0.069 0 CA-C-O 120.739 0.304 . . . . 0.0 111.251 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' B' B ' 68' ' ' MET . . . . . . . . . . . . . 65.0 ttp -102.25 132.63 48.07 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.291 166.91 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 69' ' ' ARG . . . . . . . . . . . . . 55.4 ttp180 -158.55 128.36 5.83 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.282 178.438 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 70' ' ' LEU . . . . . . . . . . . . . 65.6 tp -77.58 109.49 11.59 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.33 -0.395 . . . . 0.0 111.169 166.374 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 71' ' ' GLU . . . . . 0.476 ' O ' ' C ' ' B' ' 72' ' ' LYS . 79.3 mm-40 -69.06 -179.37 1.5 Allowed 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.214 179.097 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 72' ' ' LYS . . . . . 0.476 ' C ' ' O ' ' B' ' 71' ' ' GLU . 88.0 tttt -29.29 -60.02 0.14 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.17 177.561 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 73' ' ' ASP . . . . . . . . . . . . . 57.6 p-10 -146.53 46.49 1.21 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.114 176.354 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 74' ' ' ARG . . . . . 0.434 ' HA ' ' HA ' ' B' ' 148' ' ' PRO . 79.3 ttt180 -160.56 127.72 4.32 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.175 -175.767 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 75' ' ' PHE . . . . . . . . . . . . . 37.6 t80 -96.43 117.9 31.84 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.257 -178.049 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 76' ' ' SER . . . . . . . . . . . . . 89.8 p -132.73 147.89 52.33 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.121 -177.623 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 77' ' ' VAL . . . . . 0.484 ' O ' ' HA ' ' B' ' 144' ' ' THR . 87.3 t -139.85 136.29 38.82 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.217 179.207 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 78' ' ' ASN . . . . . . . . . . . . . 93.6 m-20 -105.61 147.04 28.89 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.279 -0.418 . . . . 0.0 111.262 166.011 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 79' ' ' LEU . . . . . 0.487 ' HB2' ' HB3' ' B' ' 143' ' ' LEU . 74.0 mt -143.07 146.36 33.73 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.208 -173.132 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 80' ' ' ASP . . . . . . . . . . . . . 58.9 t0 -82.13 113.21 19.83 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.154 -178.746 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 81' ' ' VAL . . . . . 0.732 HG12 ' O ' ' B' ' 81' ' ' VAL . 62.0 t -134.34 45.69 0.48 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.132 170.447 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 82' ' ' LYS . . . . . 0.481 ' HA ' ' HA3' ' B' ' 141' ' ' GLY . 98.5 mttt -78.14 -28.92 48.51 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.182 -165.778 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 83' ' ' HIS . . . . . . . . . . . . . 41.8 m80 -121.37 3.63 10.27 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.163 -162.601 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 84' ' ' PHE . . . . . 0.452 ' CD1' ' HB2' ' B' ' 104' ' ' HIS . 40.8 p90 -146.23 -179.11 6.51 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.192 177.354 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 85' ' ' SER . . . . . 0.453 ' HB3' ' HD2' ' B' ' 86' ' ' PRO . 69.4 m -128.88 166.75 22.79 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.224 -154.272 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 86' ' ' PRO . . . . . 0.454 ' HA ' ' HB3' ' B' ' 89' ' ' LEU . 86.5 Cg_exo -51.75 -30.42 37.56 Favored 'Trans proline' 0 N--CA 1.457 -0.621 0 C-N-CA 121.722 1.614 . . . . 0.0 111.267 177.765 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 87' ' ' GLU . . . . . . . . . . . . . 99.8 mt-10 -65.7 -35.06 79.66 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.092 -0.504 . . . . 0.0 111.186 -176.892 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 88' ' ' GLU . . . . . . . . . . . . . 93.8 mt-10 -103.49 -5.81 22.43 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.13 -0.487 . . . . 0.0 111.122 177.805 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 89' ' ' LEU . . . . . 0.454 ' HB3' ' HA ' ' B' ' 86' ' ' PRO . 46.6 tp -94.16 96.73 9.8 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.175 178.765 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 90' ' ' LYS . . . . . . . . . . . . . 98.8 mttt -95.61 74.6 3.22 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.128 -173.053 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 91' ' ' VAL . . . . . . . . . . . . . 97.6 t -61.27 102.68 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.302 -0.408 . . . . 0.0 111.147 174.758 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 92' ' ' LYS . . . . . . . . . . . . . 99.1 mttt -118.78 150.8 39.19 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.215 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 93' ' ' VAL . . . . . . . . . . . . . 34.9 m -129.02 152.65 37.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.192 171.295 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 94' ' ' LEU . . . . . 0.475 ' HB2' ' HB ' ' B' ' 97' ' ' VAL . 75.5 mt -133.31 74.5 1.57 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.073 -0.512 . . . . 0.0 111.207 179.134 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 95' ' ' GLY . . . . . . . . . . . . . . . 81.04 -104.54 2.35 Favored Glycine 0 CA--C 1.524 0.645 0 N-CA-C 111.219 -0.752 . . . . 0.0 111.219 179.927 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 96' ' ' ASP . . . . . . . . . . . . . 48.4 p-10 -97.64 29.97 3.12 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.704 0.288 . . . . 0.0 111.099 171.026 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 97' ' ' VAL . . . . . 0.475 ' HB ' ' HB2' ' B' ' 94' ' ' LEU . 97.3 t -124.46 139.9 49.34 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.366 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.179 -177.215 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 98' ' ' ILE . . . . . . . . . . . . . 64.0 mt -118.6 92.76 2.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.134 175.926 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 99' ' ' GLU . . . . . 0.476 ' HA ' ' HA ' ' B' ' 121' ' ' LYS . 84.5 tt0 -97.59 87.81 4.18 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.168 179.627 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 100' ' ' VAL . . . . . 0.503 ' HB ' ' HB2' ' B' ' 120' ' ' ARG . 58.7 t -78.04 73.14 0.55 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.381 0 CA-C-N 116.286 -0.415 . . . . 0.0 111.169 176.228 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 101' ' ' HIS . . . . . 0.64 ' O ' ' ND1' ' B' ' 101' ' ' HIS . 15.5 t-80 -60.67 75.53 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.183 175.231 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 102' ' ' GLY . . . . . 0.432 ' N ' ' O ' ' B' ' 100' ' ' VAL . . . -66.7 170.3 32.46 Favored Glycine 0 CA--C 1.523 0.592 0 N-CA-C 111.226 -0.749 . . . . 0.0 111.226 172.305 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 103' ' ' LYS . . . . . 0.429 ' HA ' ' HA ' ' B' ' 117' ' ' GLU . 37.9 ttpt -169.01 124.42 0.89 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.763 0.316 . . . . 0.0 111.151 174.548 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 104' ' ' HIS . . . . . 0.452 ' HB2' ' CD1' ' B' ' 84' ' ' PHE . 23.3 t-160 -111.09 108.34 18.02 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.273 163.094 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 105' ' ' GLU . . . . . . . . . . . . . 91.2 mt-10 -93.53 166.75 12.1 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.272 174.722 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 106' ' ' GLU . . . . . . . . . . . . . 95.0 mt-10 49.62 60.22 3.94 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.229 -179.654 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 107' ' ' ARG . . . . . 0.49 ' HB3' HG13 ' B' ' 114' ' ' ILE . 55.8 ttt85 -109.89 90.86 3.43 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.131 -173.001 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 108' ' ' GLN . . . . . . . . . . . . . 90.2 mt-30 -60.45 137.3 58.17 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.153 175.962 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 109' ' ' ASP . . . . . . . . . . . . . 56.3 p30 -154.5 -147.61 0.22 Allowed 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.174 177.249 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 110' ' ' GLU . . . . . . . . . . . . . 58.9 mp0 -67.16 -18.66 65.37 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.151 -174.544 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 111' ' ' HIS . . . . . . . . . . . . . 23.6 p-80 -135.14 94.58 3.15 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.091 174.916 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 112' ' ' GLY . . . . . . . . . . . . . . . 41.11 -139.38 1.54 Allowed Glycine 0 CA--C 1.523 0.535 0 N-CA-C 111.164 -0.774 . . . . 0.0 111.164 179.892 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 113' ' ' PHE . . . . . . . . . . . . . 66.8 m-85 -86.27 150.22 24.51 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 120.799 0.333 . . . . 0.0 111.294 -178.481 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 114' ' ' ILE . . . . . 0.49 HG13 ' HB3' ' B' ' 107' ' ' ARG . 34.0 pt -134.37 -161.61 0.28 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.169 161.149 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 115' ' ' SER . . . . . 0.448 ' O ' ' HA ' ' A' ' 118' ' ' PHE . 37.6 t -158.61 143.75 16.3 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.267 168.336 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 116' ' ' ARG . . . . . . . . . . . . . 69.4 mtm180 -111.34 84.29 1.92 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.171 175.957 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 117' ' ' GLU . . . . . 0.429 ' HA ' ' HA ' ' B' ' 103' ' ' LYS . 87.3 tt0 -95.44 117.08 29.72 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.079 -0.51 . . . . 0.0 111.278 179.835 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 118' ' ' PHE . . . . . 0.455 ' HA ' ' O ' ' A' ' 115' ' ' SER . 77.4 m-85 -102.68 157.92 16.6 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.284 -0.416 . . . . 0.0 111.144 -165.827 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 119' ' ' HIS . . . . . . . . . . . . . 79.5 m80 -130.87 66.1 1.54 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.136 164.641 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 120' ' ' ARG . . . . . 0.503 ' HB2' ' HB ' ' B' ' 100' ' ' VAL . 89.2 mtt180 -76.6 73.12 3.3 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.253 -162.598 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 121' ' ' LYS . . . . . 0.476 ' HA ' ' HA ' ' B' ' 99' ' ' GLU . 39.8 ttmt -93.85 96.61 9.85 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.099 -171.205 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 122' ' ' TYR . . . . . . . . . . . . . 41.5 p90 -121.76 145.11 48.36 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.195 173.35 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 123' ' ' ARG . . . . . 0.403 ' HG3' HG22 ' B' ' 97' ' ' VAL . 9.9 mpt_? -94.08 159.58 15.09 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.179 -164.733 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 124' ' ' ILE . . . . . . . . . . . . . 67.7 mt -89.24 127.1 56.49 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.178 177.382 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 125' ' ' PRO . . . . . 0.4 ' HB2' HG23 ' B' ' 128' ' ' VAL . 81.2 Cg_exo -48.86 140.18 23.81 Favored 'Trans proline' 0 N--CA 1.459 -0.542 0 C-N-CA 121.686 1.59 . . . . 0.0 111.227 174.097 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 126' ' ' ALA . . . . . . . . . . . . . . . -60.35 -16.35 34.35 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.259 -176.261 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 127' ' ' ASP . . . . . . . . . . . . . 77.9 m-20 -101.63 16.61 25.21 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.196 -177.736 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 128' ' ' VAL . . . . . 0.4 HG23 ' HB2' ' B' ' 125' ' ' PRO . 93.0 t -127.54 133.34 67.97 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.197 -179.48 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 129' ' ' ASP . . . . . . . . . . . . . 64.8 t0 -85.43 118.47 70.78 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.273 -176.361 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 130' ' ' PRO . . . . . . . . . . . . . 80.4 Cg_exo -52.56 -33.75 59.57 Favored 'Trans proline' 0 N--CA 1.458 -0.615 0 C-N-CA 121.638 1.559 . . . . 0.0 111.256 179.879 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 131' ' ' LEU . . . . . . . . . . . . . 95.7 mt -72.91 -22.21 60.78 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.228 -173.229 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 132' ' ' THR . . . . . . . . . . . . . 81.4 p -90.89 -3.85 57.02 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.225 -178.482 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 133' ' ' ILE . . . . . 0.433 ' HA ' ' HA3' ' B' ' 147' ' ' GLY . 99.6 mt -88.8 121.46 39.0 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.224 -0.443 . . . . 0.0 111.196 179.454 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 134' ' ' THR . . . . . . . . . . . . . 92.4 m -127.09 134.89 50.17 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.195 -178.804 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 135' ' ' SER . . . . . . . . . . . . . 79.1 p -89.63 159.13 17.3 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.233 178.392 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 136' ' ' SER . . . . . . . . . . . . . 43.4 t -159.45 122.46 3.6 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.2 179.371 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 137' ' ' LEU . . . . . . . . . . . . . 69.1 tp -102.31 120.5 40.59 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.232 -176.112 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 138' ' ' SER . . . . . . . . . . . . . 74.4 p -81.34 167.08 19.88 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.202 -177.279 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 139' ' ' SER . . . . . . . . . . . . . 86.3 p -69.84 -18.74 63.46 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.182 176.798 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 140' ' ' ASP . . . . . . . . . . . . . 91.5 m-20 -83.64 -7.06 59.58 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.181 176.476 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 141' ' ' GLY . . . . . 0.481 ' HA3' ' HA ' ' B' ' 82' ' ' LYS . . . 82.95 45.21 6.77 Favored Glycine 0 CA--C 1.524 0.628 0 N-CA-C 111.227 -0.749 . . . . 0.0 111.227 179.357 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 142' ' ' VAL . . . . . . . . . . . . . 67.9 t -118.84 113.87 42.99 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-O 120.778 0.323 . . . . 0.0 111.265 171.862 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 143' ' ' LEU . . . . . 0.487 ' HB3' ' HB2' ' B' ' 79' ' ' LEU . 38.0 tp -89.7 117.34 28.5 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.221 179.54 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 144' ' ' THR . . . . . 0.484 ' HA ' ' O ' ' B' ' 77' ' ' VAL . 99.0 m -107.73 109.38 20.95 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.238 -175.842 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 145' ' ' VAL . . . . . . . . . . . . . 61.6 t -106.59 109.47 28.16 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.396 0 CA-C-N 116.326 -0.397 . . . . 0.0 111.261 -179.93 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 146' ' ' ASP . . . . . 0.492 ' OD1' ' C ' ' B' ' 146' ' ' ASP . 23.6 t0 -147.98 119.05 7.69 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.203 -161.569 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 147' ' ' GLY . . . . . 0.433 ' HA3' ' HA ' ' B' ' 133' ' ' ILE . . . -136.99 133.01 6.25 Favored Glycine 0 CA--C 1.523 0.537 0 N-CA-C 111.19 -0.764 . . . . 0.0 111.19 171.131 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 148' ' ' PRO . . . . . 0.434 ' HA ' ' HA ' ' B' ' 74' ' ' ARG . 50.4 Cg_exo -60.04 162.62 16.03 Favored 'Trans proline' 0 N--CA 1.459 -0.52 0 C-N-CA 121.713 1.609 . . . . 0.0 111.249 178.404 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 149' ' ' ARG . . . . . . . . . . . . . 95.8 mtt180 . . . . . 0 C--N 1.329 -0.317 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.213 179.157 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 87.5 tt0 . . . . . 0 C--O 1.231 0.121 0 CA-C-O 120.792 0.33 . . . . 0.0 111.128 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 68' ' ' MET . . . . . . . . . . . . . 59.2 ttm -37.57 119.52 0.73 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.178 178.4 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 78.9 ttt180 -118.74 117.7 29.62 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.22 -178.101 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 70' ' ' LEU . . . . . 0.412 ' HG ' ' HB3' ' A' ' 75' ' ' PHE . 9.5 mp -81.31 113.26 19.3 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.257 -179.64 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 71' ' ' GLU . . . . . 0.635 ' O ' ' C ' ' A' ' 72' ' ' LYS . 81.4 mm-40 -85.32 178.48 7.46 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.163 170.089 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 72' ' ' LYS . . . . . 0.635 ' C ' ' O ' ' A' ' 71' ' ' GLU . 88.1 tttt -13.4 -70.44 0.01 OUTLIER 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.212 -177.019 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 57.4 p-10 -143.05 44.42 1.56 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.099 -0.5 . . . . 0.0 111.256 178.33 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 79.6 ttt180 -170.82 135.76 1.11 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.058 -0.519 . . . . 0.0 111.162 -175.917 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 75' ' ' PHE . . . . . 0.432 ' CZ ' HG13 ' A' ' 128' ' ' VAL . 39.2 p90 -112.52 159.04 19.19 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.15 -176.823 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 97.5 p -144.27 158.48 43.71 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.06 -0.518 . . . . 0.0 111.234 177.685 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 76.2 t -133.86 144.74 34.81 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.373 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.276 -176.882 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 40.4 t-20 -125.84 103.98 8.08 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.165 176.581 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 81.1 mt -116.02 152.62 33.19 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.141 176.823 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 60.1 t0 -101.93 113.72 27.18 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.184 -178.781 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 20.9 m -132.42 46.24 0.51 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.225 177.379 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 82' ' ' LYS . . . . . 0.405 ' O ' ' HB2' ' A' ' 83' ' ' HIS . 83.8 tttt -79.35 137.92 37.49 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.163 -0.472 . . . . 0.0 111.16 178.699 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 83' ' ' HIS . . . . . 0.405 ' HB2' ' O ' ' A' ' 82' ' ' LYS . 66.7 m-70 72.21 34.26 1.42 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.069 -0.514 . . . . 0.0 111.177 -175.991 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 84' ' ' PHE . . . . . . . . . . . . . 66.1 m-85 -122.84 145.64 48.26 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.27 172.783 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 85' ' ' SER . . . . . 0.426 ' O ' ' N ' ' A' ' 89' ' ' LEU . 74.4 m -109.9 151.0 42.14 Favored Pre-proline 0 C--N 1.327 -0.391 0 CA-C-N 116.288 -0.414 . . . . 0.0 111.252 178.087 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 86' ' ' PRO . . . . . 0.414 ' HD3' ' HA ' ' A' ' 85' ' ' SER . 71.7 Cg_exo -55.39 -26.13 51.66 Favored 'Trans proline' 0 N--CA 1.457 -0.641 0 C-N-CA 121.715 1.61 . . . . 0.0 111.294 179.137 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 99.8 mt-10 -66.72 -26.67 67.11 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.284 -179.766 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 80.6 mm-40 -121.78 -7.49 9.02 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.084 -0.507 . . . . 0.0 111.146 -178.95 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 89' ' ' LEU . . . . . 0.426 ' N ' ' O ' ' A' ' 85' ' ' SER . 64.0 tp -108.06 116.96 32.92 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.15 -175.828 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 98.9 mttt -122.54 146.0 47.81 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.226 -175.11 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 64.2 t -124.86 110.48 25.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.214 172.386 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 87.1 tttt -125.79 147.24 49.47 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.169 -171.517 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 93' ' ' VAL . . . . . 0.413 ' HA ' ' HA ' ' A' ' 98' ' ' ILE . 61.9 t -111.79 116.35 52.33 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.421 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.131 166.097 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 94' ' ' LEU . . . . . 0.452 ' HB3' HG23 ' A' ' 97' ' ' VAL . 68.9 tp -105.94 68.64 0.78 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.123 -0.489 . . . . 0.0 111.234 -172.41 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 79.41 -104.91 2.2 Favored Glycine 0 CA--C 1.523 0.591 0 N-CA-C 111.086 -0.805 . . . . 0.0 111.086 173.125 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 89.4 m-20 -88.21 -5.96 58.1 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 120.831 0.348 . . . . 0.0 111.261 -178.315 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 97' ' ' VAL . . . . . 0.452 HG23 ' HB3' ' A' ' 94' ' ' LEU . 28.9 m -123.11 164.85 20.05 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.171 178.824 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 98' ' ' ILE . . . . . 0.413 ' HA ' ' HA ' ' A' ' 93' ' ' VAL . 91.4 mt -113.78 96.31 4.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.176 175.485 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 86.5 tt0 -83.47 90.15 7.17 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.222 -172.494 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 100' ' ' VAL . . . . . . . . . . . . . 91.8 t -89.05 120.32 37.55 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.228 171.013 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 101' ' ' HIS . . . . . 0.532 ' N ' ' CD2' ' A' ' 101' ' ' HIS . 0.1 OUTLIER -143.62 130.63 20.58 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.17 -165.521 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . -134.25 -173.07 13.03 Favored Glycine 0 CA--C 1.524 0.647 0 N-CA-C 111.164 -0.774 . . . . 0.0 111.164 -171.485 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 103' ' ' LYS . . . . . 0.403 ' HA ' ' O ' ' A' ' 116' ' ' ARG . 87.5 tttt -170.58 120.18 0.57 Allowed 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 120.848 0.356 . . . . 0.0 111.219 172.087 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 104' ' ' HIS . . . . . . . . . . . . . 23.8 t-160 -119.66 111.49 18.11 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.358 -0.383 . . . . 0.0 111.16 170.851 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 99.8 mt-10 -81.18 -59.06 2.79 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.195 -166.443 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 106' ' ' GLU . . . . . 0.435 ' HA ' ' CD1' ' A' ' 113' ' ' PHE . 98.1 mt-10 -90.12 86.79 6.65 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.185 176.998 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 107' ' ' ARG . . . . . 0.503 ' HB3' HG13 ' A' ' 114' ' ' ILE . 59.7 ttt85 -122.7 85.32 2.4 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.133 -174.4 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 108' ' ' GLN . . . . . . . . . . . . . 68.6 tp60 -44.58 123.31 3.55 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.181 177.632 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 9.6 t0 -133.81 -157.87 0.84 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.2 -177.595 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 92.4 mt-10 -67.71 -31.74 71.89 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.18 177.705 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 111' ' ' HIS . . . . . . . . . . . . . 68.7 m80 -119.93 87.29 2.72 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.076 179.398 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 66.08 -133.47 33.99 Favored Glycine 0 CA--C 1.525 0.66 0 N-CA-C 111.143 -0.783 . . . . 0.0 111.143 -176.273 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 113' ' ' PHE . . . . . 0.435 ' CD1' ' HA ' ' A' ' 106' ' ' GLU . 22.9 p90 -118.96 148.62 42.76 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.71 0.291 . . . . 0.0 111.355 166.96 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 114' ' ' ILE . . . . . 0.503 HG13 ' HB3' ' A' ' 107' ' ' ARG . 45.6 pt -110.87 152.23 12.88 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.37 0 CA-C-N 116.311 -0.404 . . . . 0.0 111.175 -176.233 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 115' ' ' SER . . . . . 0.407 ' HB3' ' HB2' ' B' ' 119' ' ' HIS . 41.0 t -123.03 95.29 4.56 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.235 -0.438 . . . . 0.0 111.194 175.239 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 116' ' ' ARG . . . . . 0.403 ' O ' ' HA ' ' A' ' 103' ' ' LYS . 97.0 mtt180 -107.47 117.78 34.98 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.222 -171.843 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 88.9 tt0 -98.62 120.97 39.95 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.22 172.266 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 118' ' ' PHE . . . . . . . . . . . . . 91.9 m-85 -104.39 143.11 33.44 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.218 -166.029 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 119' ' ' HIS . . . . . 0.42 ' HB2' ' HB3' ' B' ' 115' ' ' SER . 49.0 m80 -133.85 156.39 48.16 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.304 -0.407 . . . . 0.0 111.252 155.599 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 120' ' ' ARG . . . . . 0.538 ' CG ' ' O ' ' A' ' 120' ' ' ARG . 13.3 ptp180 -155.64 104.39 2.35 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.172 168.225 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 121' ' ' LYS . . . . . . . . . . . . . 93.6 mttt -90.47 89.53 7.61 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.225 -179.377 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 122' ' ' TYR . . . . . . . . . . . . . 80.1 t80 -88.57 122.97 32.6 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.226 -174.775 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 123' ' ' ARG . . . . . . . . . . . . . 1.5 mpp_? -73.34 138.95 45.68 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.154 -170.55 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 124' ' ' ILE . . . . . . . . . . . . . 84.7 mt -91.34 115.13 63.81 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.298 -173.539 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 125' ' ' PRO . . . . . . . . . . . . . 52.1 Cg_exo -55.44 154.88 22.58 Favored 'Trans proline' 0 N--CA 1.459 -0.534 0 C-N-CA 121.655 1.57 . . . . 0.0 111.218 171.867 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . -64.8 -11.95 42.53 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.232 179.065 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 127' ' ' ASP . . . . . . . . . . . . . 78.9 m-20 -103.06 12.24 36.2 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.101 -0.5 . . . . 0.0 111.135 -179.393 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 128' ' ' VAL . . . . . 0.432 HG13 ' CZ ' ' A' ' 75' ' ' PHE . 54.7 t -122.03 138.6 51.74 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.396 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.268 -177.456 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 65.2 t0 -132.09 115.34 15.26 Favored Pre-proline 0 C--N 1.328 -0.357 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.186 -175.667 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 130' ' ' PRO . . . . . . . . . . . . . 90.1 Cg_endo -81.31 5.27 6.37 Favored 'Trans proline' 0 N--CA 1.458 -0.6 0 C-N-CA 121.616 1.544 . . . . 0.0 111.125 -173.826 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 131' ' ' LEU . . . . . . . . . . . . . 94.0 mt -99.12 3.24 46.57 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.175 173.204 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 132' ' ' THR . . . . . . . . . . . . . 69.6 p -114.49 8.37 16.45 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.207 -179.542 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 133' ' ' ILE . . . . . . . . . . . . . 43.3 pt -101.58 153.02 5.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.129 -170.49 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 134' ' ' THR . . . . . . . . . . . . . 62.7 m -134.29 91.29 2.78 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.216 172.475 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 135' ' ' SER . . . . . . . . . . . . . 76.9 p -65.16 157.34 29.0 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.224 179.562 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 136' ' ' SER . . . . . . . . . . . . . 43.3 t -171.67 146.95 2.22 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.216 -176.855 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 137' ' ' LEU . . . . . . . . . . . . . 7.2 mp -103.55 134.14 47.4 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.183 178.944 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 138' ' ' SER . . . . . . . . . . . . . 53.2 p -81.24 176.61 9.61 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.229 178.562 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 139' ' ' SER . . . . . . . . . . . . . 87.3 p -68.43 -16.12 63.79 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.189 175.334 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 140' ' ' ASP . . . . . . . . . . . . . 85.3 m-20 -95.92 -1.51 49.1 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.229 178.006 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 141' ' ' GLY . . . . . . . . . . . . . . . 83.07 33.88 22.48 Favored Glycine 0 CA--C 1.523 0.548 0 N-CA-C 111.277 -0.729 . . . . 0.0 111.277 178.699 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 142' ' ' VAL . . . . . . . . . . . . . 98.2 t -99.7 116.04 42.02 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-O 120.885 0.374 . . . . 0.0 111.114 178.847 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 143' ' ' LEU . . . . . . . . . . . . . 64.7 tp -78.92 121.5 24.96 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.176 176.866 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 144' ' ' THR . . . . . . . . . . . . . 87.0 m -119.36 96.08 5.06 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.212 -175.502 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 145' ' ' VAL . . . . . . . . . . . . . 65.0 t -91.22 118.41 36.46 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.369 0 CA-C-N 116.291 -0.413 . . . . 0.0 111.207 174.181 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 146' ' ' ASP . . . . . . . . . . . . . 3.6 p30 -151.1 142.08 23.0 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.182 -171.078 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 147' ' ' GLY . . . . . . . . . . . . . . . -171.54 151.99 16.68 Favored Glycine 0 CA--C 1.522 0.53 0 N-CA-C 111.228 -0.749 . . . . 0.0 111.228 -176.502 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 148' ' ' PRO . . . . . . . . . . . . . 76.1 Cg_exo -54.56 151.89 29.27 Favored 'Trans proline' 0 N--CA 1.458 -0.601 0 C-N-CA 121.724 1.616 . . . . 0.0 111.231 175.973 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 149' ' ' ARG . . . . . . . . . . . . . 98.4 mtt180 . . . . . 0 C--N 1.329 -0.294 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.213 -179.436 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' B' B ' 67' ' ' GLU . . . . . . . . . . . . . 87.4 tt0 . . . . . 0 N--CA 1.457 -0.075 0 CA-C-O 120.819 0.343 . . . . 0.0 111.147 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' B' B ' 68' ' ' MET . . . . . . . . . . . . . 59.2 ttm -37.57 119.48 0.73 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.176 178.506 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 69' ' ' ARG . . . . . . . . . . . . . 78.9 ttt180 -118.74 117.78 29.82 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.16 -178.052 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 70' ' ' LEU . . . . . 0.41 ' HG ' ' HB3' ' B' ' 75' ' ' PHE . 9.5 mp -81.38 113.24 19.34 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.258 -179.681 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 71' ' ' GLU . . . . . 0.617 ' O ' ' C ' ' B' ' 72' ' ' LYS . 81.4 mm-40 -85.25 178.52 7.46 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.163 -0.472 . . . . 0.0 111.186 169.997 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 72' ' ' LYS . . . . . 0.617 ' C ' ' O ' ' B' ' 71' ' ' GLU . 88.1 tttt -13.6 -70.43 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.181 -176.883 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 73' ' ' ASP . . . . . . . . . . . . . 57.4 p-10 -142.83 44.4 1.59 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.284 -0.416 . . . . 0.0 111.278 178.326 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 74' ' ' ARG . . . . . . . . . . . . . 79.7 ttt180 -170.88 135.59 1.07 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.216 -175.767 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 75' ' ' PHE . . . . . 0.419 ' CZ ' HG13 ' B' ' 128' ' ' VAL . 39.3 p90 -112.36 159.08 19.04 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.201 -176.741 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 76' ' ' SER . . . . . . . . . . . . . 97.5 p -144.3 158.48 43.71 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.283 177.587 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 77' ' ' VAL . . . . . . . . . . . . . 75.6 t -133.85 144.73 34.84 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.17 -176.79 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 78' ' ' ASN . . . . . . . . . . . . . 40.3 t-20 -125.84 103.97 8.07 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.324 176.414 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 79' ' ' LEU . . . . . . . . . . . . . 80.9 mt -115.97 152.52 33.34 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.223 176.888 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 80' ' ' ASP . . . . . . . . . . . . . 60.3 t0 -101.92 113.66 27.08 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.213 -178.787 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 81' ' ' VAL . . . . . . . . . . . . . 20.3 m -132.34 46.25 0.51 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.235 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.259 177.389 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 82' ' ' LYS . . . . . 0.416 ' O ' ' HB2' ' B' ' 83' ' ' HIS . 83.9 tttt -79.38 137.94 37.48 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.139 178.735 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 83' ' ' HIS . . . . . 0.416 ' HB2' ' O ' ' B' ' 82' ' ' LYS . 67.3 m-70 72.25 34.24 1.41 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.152 -176.072 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 84' ' ' PHE . . . . . 0.406 ' HB3' ' HB2' ' B' ' 89' ' ' LEU . 65.8 m-85 -122.88 145.59 48.32 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.298 172.737 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 85' ' ' SER . . . . . 0.413 ' O ' ' N ' ' B' ' 89' ' ' LEU . 74.2 m -109.82 151.07 42.14 Favored Pre-proline 0 C--N 1.328 -0.362 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.252 178.152 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 86' ' ' PRO . . . . . . . . . . . . . 72.1 Cg_exo -55.41 -26.2 52.19 Favored 'Trans proline' 0 N--CA 1.457 -0.622 0 C-N-CA 121.77 1.647 . . . . 0.0 111.197 179.158 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 87' ' ' GLU . . . . . . . . . . . . . 99.8 mt-10 -66.83 -26.51 66.96 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.251 -179.77 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 88' ' ' GLU . . . . . . . . . . . . . 80.7 mm-40 -121.84 -7.46 8.99 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.155 -179.019 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 89' ' ' LEU . . . . . 0.413 ' N ' ' O ' ' B' ' 85' ' ' SER . 64.3 tp -108.13 116.99 32.99 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.147 -175.859 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 90' ' ' LYS . . . . . . . . . . . . . 98.9 mttt -122.54 145.97 47.84 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.22 -175.007 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 91' ' ' VAL . . . . . . . . . . . . . 64.0 t -124.85 110.39 24.78 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.367 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.243 172.411 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 92' ' ' LYS . . . . . . . . . . . . . 87.1 tttt -125.73 147.3 49.42 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.139 -171.524 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 93' ' ' VAL . . . . . 0.41 ' HA ' ' HA ' ' B' ' 98' ' ' ILE . 61.5 t -111.78 116.35 52.3 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.187 166.069 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 94' ' ' LEU . . . . . 0.441 ' HB3' HG23 ' B' ' 97' ' ' VAL . 68.9 tp -105.97 68.63 0.78 Allowed 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.152 -172.352 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 95' ' ' GLY . . . . . . . . . . . . . . . 79.34 -104.69 2.17 Favored Glycine 0 CA--C 1.523 0.542 0 N-CA-C 111.202 -0.759 . . . . 0.0 111.202 173.13 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 96' ' ' ASP . . . . . . . . . . . . . 89.1 m-20 -88.3 -6.04 58.0 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-O 120.757 0.313 . . . . 0.0 111.159 -178.36 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 97' ' ' VAL . . . . . 0.441 HG23 ' HB3' ' B' ' 94' ' ' LEU . 27.7 m -123.13 164.96 19.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.303 -0.408 . . . . 0.0 111.182 178.771 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 98' ' ' ILE . . . . . 0.41 ' HA ' ' HA ' ' B' ' 93' ' ' VAL . 91.2 mt -113.84 96.41 4.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.176 175.499 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 99' ' ' GLU . . . . . . . . . . . . . 86.4 tt0 -83.49 90.0 7.15 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.181 -172.408 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 100' ' ' VAL . . . . . . . . . . . . . 92.7 t -89.0 120.35 37.53 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.31 170.977 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 101' ' ' HIS . . . . . 0.549 ' CD2' ' N ' ' B' ' 101' ' ' HIS . 0.1 OUTLIER -143.55 130.47 20.49 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.23 -165.393 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' B' B ' 102' ' ' GLY . . . . . . . . . . . . . . . -134.18 -173.17 13.07 Favored Glycine 0 CA--C 1.523 0.564 0 N-CA-C 111.259 -0.736 . . . . 0.0 111.259 -171.551 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 103' ' ' LYS . . . . . 0.404 ' HA ' ' O ' ' B' ' 116' ' ' ARG . 87.5 tttt -170.53 120.19 0.57 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.738 0.304 . . . . 0.0 111.185 171.996 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 104' ' ' HIS . . . . . . . . . . . . . 23.8 t-160 -119.61 111.61 18.28 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.253 170.783 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 105' ' ' GLU . . . . . . . . . . . . . 99.8 mt-10 -81.36 -58.89 2.84 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.298 -0.41 . . . . 0.0 111.211 -166.399 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 106' ' ' GLU . . . . . 0.434 ' HA ' ' CD1' ' B' ' 113' ' ' PHE . 98.1 mt-10 -90.17 86.93 6.67 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.159 176.962 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 107' ' ' ARG . . . . . 0.508 ' HB3' HG13 ' B' ' 114' ' ' ILE . 59.7 ttt85 -122.75 85.21 2.38 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.138 -174.42 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 108' ' ' GLN . . . . . . . . . . . . . 68.8 tp60 -44.47 123.36 3.53 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.216 177.579 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 109' ' ' ASP . . . . . . . . . . . . . 9.6 t0 -133.85 -157.89 0.84 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.151 -177.595 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 110' ' ' GLU . . . . . . . . . . . . . 92.2 mt-10 -67.73 -31.72 71.84 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.212 177.687 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 111' ' ' HIS . . . . . . . . . . . . . 68.0 m80 -119.87 87.15 2.69 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.219 179.29 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 112' ' ' GLY . . . . . . . . . . . . . . . 66.18 -133.47 33.72 Favored Glycine 0 CA--C 1.524 0.636 0 N-CA-C 111.09 -0.804 . . . . 0.0 111.09 -176.302 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 113' ' ' PHE . . . . . 0.434 ' CD1' ' HA ' ' B' ' 106' ' ' GLU . 23.0 p90 -118.95 148.66 42.71 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.742 0.305 . . . . 0.0 111.242 166.96 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 114' ' ' ILE . . . . . 0.508 HG13 ' HB3' ' B' ' 107' ' ' ARG . 45.7 pt -110.88 152.3 12.88 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.398 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.168 -176.324 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 115' ' ' SER . . . . . 0.42 ' HB3' ' HB2' ' A' ' 119' ' ' HIS . 40.8 t -123.09 95.27 4.54 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.075 -0.512 . . . . 0.0 111.052 175.388 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 116' ' ' ARG . . . . . 0.404 ' O ' ' HA ' ' B' ' 103' ' ' LYS . 97.0 mtt180 -107.47 117.74 34.89 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.227 -171.899 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 117' ' ' GLU . . . . . . . . . . . . . 88.8 tt0 -98.71 121.08 40.19 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.098 172.335 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 118' ' ' PHE . . . . . . . . . . . . . 91.9 m-85 -104.46 143.14 33.42 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.068 -0.515 . . . . 0.0 111.178 -166.055 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 119' ' ' HIS . . . . . 0.409 ' O ' ' HA ' ' A' ' 114' ' ' ILE . 49.1 m80 -133.87 156.27 48.38 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.185 155.707 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 120' ' ' ARG . . . . . 0.549 ' CG ' ' O ' ' B' ' 120' ' ' ARG . 13.3 ptp180 -155.56 104.37 2.36 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.328 168.06 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 121' ' ' LYS . . . . . . . . . . . . . 93.5 mttt -90.37 89.5 7.63 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.3 -179.318 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 122' ' ' TYR . . . . . . . . . . . . . 80.5 t80 -88.47 122.81 32.36 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.327 -174.755 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 123' ' ' ARG . . . . . . . . . . . . . 1.5 mpp_? -73.09 138.91 46.12 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.17 -170.521 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 124' ' ' ILE . . . . . . . . . . . . . 84.8 mt -91.52 115.36 64.33 Favored Pre-proline 0 C--N 1.328 -0.343 0 CA-C-N 116.275 -0.421 . . . . 0.0 111.168 -173.521 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 125' ' ' PRO . . . . . . . . . . . . . 51.8 Cg_exo -55.48 154.93 22.57 Favored 'Trans proline' 0 N--CA 1.459 -0.553 0 C-N-CA 121.747 1.631 . . . . 0.0 111.15 171.916 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 126' ' ' ALA . . . . . . . . . . . . . . . -64.86 -12.01 43.89 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.181 178.999 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 127' ' ' ASP . . . . . . . . . . . . . 78.8 m-20 -103.04 12.18 36.3 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.189 -179.336 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 128' ' ' VAL . . . . . 0.419 HG13 ' CZ ' ' B' ' 75' ' ' PHE . 54.7 t -122.02 138.57 51.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.241 -177.472 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 129' ' ' ASP . . . . . . . . . . . . . 65.1 t0 -132.04 115.31 15.31 Favored Pre-proline 0 C--N 1.327 -0.387 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.28 -175.713 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 130' ' ' PRO . . . . . . . . . . . . . 91.9 Cg_endo -81.28 5.21 6.41 Favored 'Trans proline' 0 N--CA 1.457 -0.643 0 C-N-CA 121.668 1.578 . . . . 0.0 111.171 -173.689 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 131' ' ' LEU . . . . . . . . . . . . . 94.0 mt -98.99 3.1 46.88 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.191 173.197 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 132' ' ' THR . . . . . . . . . . . . . 69.0 p -114.39 8.39 16.59 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.269 -179.553 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 133' ' ' ILE . . . . . . . . . . . . . 43.2 pt -101.63 152.98 5.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.141 -170.525 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 134' ' ' THR . . . . . . . . . . . . . 63.7 m -134.34 91.35 2.78 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.241 172.449 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 135' ' ' SER . . . . . . . . . . . . . 77.3 p -65.26 157.33 29.26 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.187 179.59 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 136' ' ' SER . . . . . . . . . . . . . 43.0 t -171.65 146.98 2.24 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.104 -176.805 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 137' ' ' LEU . . . . . . . . . . . . . 7.2 mp -103.62 134.17 47.41 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.175 178.955 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 138' ' ' SER . . . . . . . . . . . . . 53.1 p -81.32 176.58 9.61 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.275 -0.42 . . . . 0.0 111.204 178.586 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 139' ' ' SER . . . . . . . . . . . . . 87.3 p -68.41 -16.11 63.8 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.151 175.425 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 140' ' ' ASP . . . . . . . . . . . . . 85.3 m-20 -95.85 -1.52 49.32 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.282 177.889 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 141' ' ' GLY . . . . . . . . . . . . . . . 83.15 33.91 22.16 Favored Glycine 0 CA--C 1.523 0.577 0 N-CA-C 111.2 -0.76 . . . . 0.0 111.2 178.612 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 142' ' ' VAL . . . . . . . . . . . . . 99.9 t -99.8 116.15 42.42 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.237 0 CA-C-O 120.858 0.361 . . . . 0.0 111.146 178.791 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 143' ' ' LEU . . . . . . . . . . . . . 64.9 tp -78.93 121.71 25.23 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.127 176.902 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 144' ' ' THR . . . . . . . . . . . . . 85.7 m -119.57 96.05 5.04 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.235 -175.561 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 145' ' ' VAL . . . . . . . . . . . . . 64.6 t -91.15 118.5 36.54 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.271 174.174 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 146' ' ' ASP . . . . . . . . . . . . . 3.6 p30 -151.15 141.98 22.86 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.255 -171.072 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 147' ' ' GLY . . . . . . . . . . . . . . . -171.39 152.04 16.96 Favored Glycine 0 CA--C 1.523 0.558 0 N-CA-C 111.181 -0.767 . . . . 0.0 111.181 -176.436 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 148' ' ' PRO . . . . . . . . . . . . . 76.3 Cg_exo -54.57 151.86 29.39 Favored 'Trans proline' 0 N--CA 1.459 -0.551 0 C-N-CA 121.735 1.624 . . . . 0.0 111.178 175.937 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 149' ' ' ARG . . . . . . . . . . . . . 98.4 mtt180 . . . . . 0 C--N 1.328 -0.35 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.32 -179.583 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 85.6 tt0 . . . . . 0 C--O 1.231 0.111 0 CA-C-O 120.737 0.303 . . . . 0.0 111.206 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 68' ' ' MET . . . . . . . . . . . . . 27.0 ptm -153.95 159.4 41.68 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.102 178.968 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 79.1 ttt180 -127.75 82.66 2.1 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.177 -178.133 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 70' ' ' LEU . . . . . 0.406 HD12 ' O ' ' A' ' 74' ' ' ARG . 57.9 tp -100.67 112.1 24.45 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.264 173.544 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 91.2 mt-10 -114.56 -149.85 0.45 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.305 -178.883 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 98.5 mttt -73.01 -28.47 62.38 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.2 176.575 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 56.1 p-10 -151.89 33.79 0.54 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.155 179.532 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 74' ' ' ARG . . . . . 0.406 ' O ' HD12 ' A' ' 70' ' ' LEU . 91.3 mmt-85 -135.3 153.74 51.78 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.307 -0.406 . . . . 0.0 111.262 178.876 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 75' ' ' PHE . . . . . . . . . . . . . 57.6 t80 -163.88 119.69 1.63 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.307 -0.406 . . . . 0.0 111.275 175.473 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 40.4 t -146.29 143.65 29.3 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.267 -179.342 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 99.0 t -124.49 121.42 61.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.21 -175.137 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 57.0 t-20 -89.81 113.99 25.64 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.168 175.651 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 63.3 mt -113.2 146.36 39.43 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.246 -176.52 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 67.6 t0 -102.87 107.05 17.75 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.157 -172.178 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 30.4 m -147.55 34.3 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.273 176.012 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 98.7 mttt -65.4 -21.41 66.67 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.114 -168.776 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 73.8 m80 -94.75 0.29 54.84 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.309 -0.405 . . . . 0.0 111.187 -172.853 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 84' ' ' PHE . . . . . . . . . . . . . 13.1 m-85 -107.2 169.22 8.69 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.177 -169.675 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 72.6 m -104.74 157.45 34.14 Favored Pre-proline 0 C--N 1.33 -0.277 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.114 173.065 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 72.6 Cg_exo -54.09 -33.48 74.04 Favored 'Trans proline' 0 N--CA 1.457 -0.628 0 C-N-CA 121.666 1.578 . . . . 0.0 111.232 177.378 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 99.4 mt-10 -78.38 -21.81 48.83 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.207 179.089 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 95.2 mt-10 -85.14 -17.06 38.42 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.16 176.464 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 89' ' ' LEU . . . . . 0.486 ' HA ' HD12 ' A' ' 89' ' ' LEU . 0.0 OUTLIER -96.04 103.92 15.84 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.229 -0.442 . . . . 0.0 111.215 -176.868 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 99.2 mttt -95.19 69.36 3.16 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.222 172.765 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 75.5 t -73.53 109.1 5.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.244 -176.734 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 98.6 mttt -124.95 165.04 18.82 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.197 -170.572 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 33.8 m -127.13 154.49 37.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.236 168.977 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 94' ' ' LEU . . . . . 0.478 ' HB2' ' CG2' ' A' ' 97' ' ' VAL . 82.7 mt -127.85 67.1 1.34 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.169 177.999 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 92.36 -92.78 1.71 Allowed Glycine 0 CA--C 1.524 0.638 0 N-CA-C 111.232 -0.747 . . . . 0.0 111.232 178.097 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 46.3 p-10 -115.91 23.61 12.11 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.798 0.332 . . . . 0.0 111.229 177.615 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 97' ' ' VAL . . . . . 0.478 ' CG2' ' HB2' ' A' ' 94' ' ' LEU . 22.2 m -133.02 165.04 33.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.118 176.225 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 98' ' ' ILE . . . . . . . . . . . . . 64.5 mt -121.9 86.75 1.05 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.126 -174.896 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 39.7 tt0 -74.92 94.03 2.76 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.24 -179.114 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 100' ' ' VAL . . . . . 0.516 ' HB ' ' HB2' ' A' ' 120' ' ' ARG . 46.6 t -81.26 103.41 8.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.297 -0.411 . . . . 0.0 111.276 178.549 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 101' ' ' HIS . . . . . 0.477 ' O ' ' CD2' ' A' ' 101' ' ' HIS . 7.9 t-160 -102.83 64.58 0.87 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.108 -172.523 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . -76.27 153.41 43.04 Favored Glycine 0 CA--C 1.523 0.546 0 N-CA-C 111.166 -0.774 . . . . 0.0 111.166 175.928 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 103' ' ' LYS . . . . . 0.503 ' HA ' ' HA ' ' A' ' 117' ' ' GLU . 86.0 tttt -153.58 114.56 4.09 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.806 0.336 . . . . 0.0 111.156 -170.946 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 104' ' ' HIS . . . . . . . . . . . . . 13.9 m170 -81.71 155.56 25.47 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.293 157.42 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 88.6 tt0 -151.45 132.01 13.9 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.225 170.525 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 95.1 mt-10 58.75 54.63 5.13 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.123 -175.551 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 23.6 ttt180 -114.38 105.98 13.77 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.99 0.424 . . . . 0.0 111.133 -174.913 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 108' ' ' GLN . . . . . . . . . . . . . 65.4 tp60 -66.45 106.73 1.83 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.178 178.467 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 51.6 p-10 -116.54 -147.73 0.42 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.196 176.371 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 15.8 pm0 -66.47 -27.76 68.05 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.338 -177.695 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 111' ' ' HIS . . . . . . . . . . . . . 95.6 m-70 -96.97 -52.19 3.96 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.18 -177.399 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 173.56 -159.01 28.67 Favored Glycine 0 CA--C 1.523 0.573 0 N-CA-C 111.194 -0.763 . . . . 0.0 111.194 -166.711 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 113' ' ' PHE . . . . . 0.442 ' HB2' ' HB3' ' B' ' 121' ' ' LYS . 65.8 m-85 -84.93 96.66 9.42 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.732 0.301 . . . . 0.0 111.244 177.756 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 114' ' ' ILE . . . . . 0.432 HG22 ' HA ' ' B' ' 120' ' ' ARG . 26.7 pt -89.0 164.61 2.18 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.362 0 CA-C-N 116.297 -0.41 . . . . 0.0 111.135 -172.666 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 31.1 t -142.25 92.12 2.4 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.066 -0.516 . . . . 0.0 111.208 164.788 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 116' ' ' ARG . . . . . 0.718 ' O ' ' HG3' ' A' ' 116' ' ' ARG . 32.1 ptt180 -108.72 75.77 0.98 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.185 -164.649 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 117' ' ' GLU . . . . . 0.503 ' HA ' ' HA ' ' A' ' 103' ' ' LYS . 14.0 pt-20 -72.54 148.29 45.13 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.196 175.553 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 118' ' ' PHE . . . . . 0.421 ' HB3' ' HG3' ' A' ' 120' ' ' ARG . 52.5 m-85 -117.08 169.29 9.55 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.238 -174.6 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 119' ' ' HIS . . . . . . . . . . . . . 78.3 m80 -143.46 60.9 1.39 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.225 163.063 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 120' ' ' ARG . . . . . 0.516 ' HB2' ' HB ' ' A' ' 100' ' ' VAL . 96.6 mtt180 -75.93 85.2 2.86 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.202 -165.211 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 121' ' ' LYS . . . . . 0.435 ' HB3' ' HB2' ' B' ' 113' ' ' PHE . 41.3 ttmt -67.12 76.87 0.14 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.169 -177.259 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 122' ' ' TYR . . . . . 0.469 ' CD1' ' C ' ' A' ' 122' ' ' TYR . 1.8 t80 -80.18 104.98 11.11 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.273 -177.848 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 123' ' ' ARG . . . . . . . . . . . . . 57.7 mtm180 -86.9 139.36 30.71 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.216 -158.362 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 124' ' ' ILE . . . . . . . . . . . . . 78.3 mt -90.8 131.03 38.72 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.186 -173.497 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 125' ' ' PRO . . . . . . . . . . . . . 84.1 Cg_exo -49.9 144.48 21.08 Favored 'Trans proline' 0 N--CA 1.458 -0.596 0 C-N-CA 121.709 1.606 . . . . 0.0 111.193 175.508 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . -64.35 -11.63 34.4 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.139 -179.578 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 127' ' ' ASP . . . . . . . . . . . . . 82.4 m-20 -99.4 11.12 40.0 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.303 -0.408 . . . . 0.0 111.234 -179.774 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 128' ' ' VAL . . . . . 0.417 ' HA ' ' HA ' ' A' ' 149' ' ' ARG . 73.9 t -125.37 136.42 60.89 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.246 -178.964 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 59.9 t0 -86.92 117.24 68.36 Favored Pre-proline 0 C--N 1.329 -0.326 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.216 -174.344 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 130' ' ' PRO . . . . . . . . . . . . . 72.2 Cg_endo -76.78 -7.87 17.73 Favored 'Trans proline' 0 N--CA 1.458 -0.563 0 C-N-CA 121.65 1.567 . . . . 0.0 111.238 -173.522 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 131' ' ' LEU . . . . . . . . . . . . . 92.9 mt -99.43 6.27 46.05 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.127 -177.77 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 132' ' ' THR . . . . . . . . . . . . . 66.8 p -123.38 13.05 9.49 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.228 -178.995 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 133' ' ' ILE . . . . . . . . . . . . . 37.7 pt -97.1 146.23 7.84 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.137 -179.572 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 134' ' ' THR . . . . . . . . . . . . . 89.6 m -139.38 97.39 3.27 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.138 -176.838 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 135' ' ' SER . . . . . 0.458 ' HA ' ' HA ' ' A' ' 145' ' ' VAL . 66.3 p -66.56 156.08 35.97 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.273 173.359 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 136' ' ' SER . . . . . . . . . . . . . 97.5 p -164.24 157.9 18.35 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.18 -179.853 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 137' ' ' LEU . . . . . . . . . . . . . 94.2 mt -114.77 152.78 31.52 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.075 -177.411 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 138' ' ' SER . . . . . . . . . . . . . 28.4 p -108.05 -179.52 3.92 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.239 175.813 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 139' ' ' SER . . . . . . . . . . . . . 86.7 p -69.25 -17.22 63.73 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.287 -0.415 . . . . 0.0 111.121 176.036 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 140' ' ' ASP . . . . . . . . . . . . . 85.4 m-20 -97.71 -6.24 33.42 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.053 178.823 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 141' ' ' GLY . . . . . . . . . . . . . . . 88.85 25.33 29.91 Favored Glycine 0 CA--C 1.524 0.619 0 N-CA-C 111.294 -0.722 . . . . 0.0 111.294 -179.761 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 142' ' ' VAL . . . . . . . . . . . . . 98.4 t -81.03 104.17 9.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-O 120.885 0.374 . . . . 0.0 111.147 179.329 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 143' ' ' LEU . . . . . . . . . . . . . 60.4 tp -87.68 120.96 29.52 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.244 178.514 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 144' ' ' THR . . . . . . . . . . . . . 91.0 m -133.52 117.63 17.36 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.299 179.067 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 145' ' ' VAL . . . . . 0.458 ' HA ' ' HA ' ' A' ' 135' ' ' SER . 7.4 p -110.68 135.15 50.67 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.115 174.889 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 146' ' ' ASP . . . . . 0.51 ' OD1' ' O ' ' A' ' 146' ' ' ASP . 20.2 p30 -162.08 143.21 10.67 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.212 -164.977 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 147' ' ' GLY . . . . . 0.434 ' HA2' ' HD3' ' A' ' 148' ' ' PRO . . . -166.36 149.04 14.44 Favored Glycine 0 CA--C 1.522 0.518 0 N-CA-C 111.256 -0.738 . . . . 0.0 111.256 -175.617 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 148' ' ' PRO . . . . . 0.434 ' HD3' ' HA2' ' A' ' 147' ' ' GLY . 88.8 Cg_exo -56.68 147.07 73.32 Favored 'Trans proline' 0 N--CA 1.458 -0.567 0 C-N-CA 121.714 1.609 . . . . 0.0 111.247 -177.416 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 149' ' ' ARG . . . . . 0.417 ' HA ' ' HA ' ' A' ' 128' ' ' VAL . 67.7 mtp180 . . . . . 0 C--N 1.33 -0.263 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.225 173.338 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 67' ' ' GLU . . . . . . . . . . . . . 85.6 tt0 . . . . . 0 N--CA 1.456 -0.129 0 CA-C-O 120.753 0.311 . . . . 0.0 111.202 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' B' B ' 68' ' ' MET . . . . . . . . . . . . . 27.0 ptm -153.81 159.49 41.88 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.088 178.958 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 69' ' ' ARG . . . . . . . . . . . . . 79.1 ttt180 -127.78 82.67 2.1 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.112 -178.173 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 70' ' ' LEU . . . . . 0.41 HD12 ' O ' ' B' ' 74' ' ' ARG . 57.5 tp -100.76 112.27 24.64 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.182 173.565 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 71' ' ' GLU . . . . . . . . . . . . . 91.4 mt-10 -114.7 -149.79 0.45 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.162 -178.818 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 72' ' ' LYS . . . . . . . . . . . . . 98.5 mttt -73.08 -28.47 62.31 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.215 176.654 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 73' ' ' ASP . . . . . . . . . . . . . 55.9 p-10 -151.89 33.76 0.54 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.067 -0.515 . . . . 0.0 111.105 179.546 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 74' ' ' ARG . . . . . 0.41 ' O ' HD12 ' B' ' 70' ' ' LEU . 91.3 mmt-85 -135.19 153.76 51.84 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.314 -0.403 . . . . 0.0 111.278 178.735 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 75' ' ' PHE . . . . . 0.404 ' HB3' ' O ' ' B' ' 147' ' ' GLY . 58.2 t80 -163.79 119.82 1.66 Allowed 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.288 175.411 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 76' ' ' SER . . . . . . . . . . . . . 40.4 t -146.37 143.72 29.26 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.119 -179.266 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 77' ' ' VAL . . . . . . . . . . . . . 99.1 t -124.68 121.27 60.96 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.368 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.229 -175.196 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 78' ' ' ASN . . . . . . . . . . . . . 56.8 t-20 -89.64 114.1 25.66 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.086 -0.506 . . . . 0.0 111.198 175.601 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 79' ' ' LEU . . . . . . . . . . . . . 64.0 mt -113.28 146.35 39.52 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.162 -176.523 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 80' ' ' ASP . . . . . . . . . . . . . 67.6 t0 -102.86 107.04 17.74 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.118 -172.161 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 81' ' ' VAL . . . . . . . . . . . . . 30.2 m -147.55 34.17 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.257 176.061 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 82' ' ' LYS . . . . . . . . . . . . . 98.8 mttt -65.23 -21.45 66.75 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.307 -168.837 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 83' ' ' HIS . . . . . . . . . . . . . 73.8 m80 -94.68 0.17 54.84 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.209 -172.839 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 84' ' ' PHE . . . . . . . . . . . . . 13.1 m-85 -107.14 169.22 8.69 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.21 -169.645 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 85' ' ' SER . . . . . . . . . . . . . 73.0 m -104.68 157.35 34.32 Favored Pre-proline 0 C--N 1.328 -0.368 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.231 172.991 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 86' ' ' PRO . . . . . . . . . . . . . 73.6 Cg_exo -54.14 -33.34 73.98 Favored 'Trans proline' 0 N--CA 1.458 -0.588 0 C-N-CA 121.611 1.541 . . . . 0.0 111.24 177.408 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 87' ' ' GLU . . . . . . . . . . . . . 99.4 mt-10 -78.39 -21.86 48.72 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.202 179.012 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 88' ' ' GLU . . . . . . . . . . . . . 95.2 mt-10 -85.1 -17.06 38.49 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.202 176.429 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 89' ' ' LEU . . . . . 0.452 HD12 ' HA ' ' B' ' 89' ' ' LEU . 0.0 OUTLIER -96.07 103.96 15.88 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.142 -176.82 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' B' B ' 90' ' ' LYS . . . . . . . . . . . . . 99.3 mttt -95.29 69.47 3.13 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.285 172.712 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 91' ' ' VAL . . . . . . . . . . . . . 75.2 t -73.47 109.09 5.41 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.367 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.098 -176.604 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 92' ' ' LYS . . . . . . . . . . . . . 98.6 mttt -125.05 165.12 18.75 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.172 -170.712 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 93' ' ' VAL . . . . . . . . . . . . . 33.9 m -127.23 154.53 37.6 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.305 168.901 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 94' ' ' LEU . . . . . 0.468 ' HB2' ' CG2' ' B' ' 97' ' ' VAL . 83.0 mt -127.79 67.26 1.33 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.181 178.045 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 95' ' ' GLY . . . . . . . . . . . . . . . 92.27 -92.79 1.72 Allowed Glycine 0 CA--C 1.522 0.525 0 N-CA-C 111.207 -0.757 . . . . 0.0 111.207 178.078 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 96' ' ' ASP . . . . . . . . . . . . . 46.3 p-10 -115.94 23.61 12.1 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.814 0.34 . . . . 0.0 111.189 177.714 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 97' ' ' VAL . . . . . 0.468 ' CG2' ' HB2' ' B' ' 94' ' ' LEU . 22.2 m -133.11 165.03 33.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.154 176.139 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 98' ' ' ILE . . . . . . . . . . . . . 64.8 mt -121.91 86.88 1.06 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.181 -174.89 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 99' ' ' GLU . . . . . . . . . . . . . 39.7 tt0 -75.02 94.06 2.81 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.245 -179.053 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 100' ' ' VAL . . . . . 0.538 ' HB ' ' HB2' ' B' ' 120' ' ' ARG . 46.8 t -81.31 103.45 8.4 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.396 0 CA-C-N 116.266 -0.424 . . . . 0.0 111.102 178.703 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 101' ' ' HIS . . . . . 0.47 ' O ' ' CD2' ' B' ' 101' ' ' HIS . 7.9 t-160 -102.86 64.6 0.87 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.178 -172.705 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 102' ' ' GLY . . . . . . . . . . . . . . . -76.27 153.39 43.0 Favored Glycine 0 CA--C 1.523 0.564 0 N-CA-C 111.176 -0.769 . . . . 0.0 111.176 175.84 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 103' ' ' LYS . . . . . 0.484 ' HA ' ' HA ' ' B' ' 117' ' ' GLU . 85.9 tttt -153.56 114.59 4.1 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.938 0.399 . . . . 0.0 111.144 -170.915 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 104' ' ' HIS . . . . . . . . . . . . . 13.7 m170 -81.73 155.62 25.42 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.16 157.507 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 105' ' ' GLU . . . . . . . . . . . . . 88.6 tt0 -151.44 132.08 13.96 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.245 170.434 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 106' ' ' GLU . . . . . . . . . . . . . 95.1 mt-10 58.73 54.54 5.21 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.117 -175.587 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 107' ' ' ARG . . . . . . . . . . . . . 23.5 ttt180 -114.13 105.79 13.61 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.255 -0.429 . . . . 0.0 111.222 -174.98 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 108' ' ' GLN . . . . . . . . . . . . . 65.6 tp60 -66.32 106.84 1.81 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.297 178.294 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 109' ' ' ASP . . . . . . . . . . . . . 51.6 p-10 -116.51 -147.77 0.42 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.162 176.419 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 110' ' ' GLU . . . . . . . . . . . . . 15.6 pm0 -66.64 -27.79 67.96 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.069 -0.514 . . . . 0.0 111.173 -177.572 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 111' ' ' HIS . . . . . . . . . . . . . 95.4 m-70 -96.89 -52.22 3.97 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.205 -177.393 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 112' ' ' GLY . . . . . . . . . . . . . . . 173.55 -159.09 28.8 Favored Glycine 0 CA--C 1.524 0.627 0 N-CA-C 111.209 -0.756 . . . . 0.0 111.209 -166.768 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 113' ' ' PHE . . . . . 0.435 ' HB2' ' HB3' ' A' ' 121' ' ' LYS . 66.2 m-85 -84.85 96.72 9.4 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.775 0.322 . . . . 0.0 111.324 177.725 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 114' ' ' ILE . . . . . 0.432 HG22 ' HA ' ' A' ' 120' ' ' ARG . 26.3 pt -88.97 164.62 2.18 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.366 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.174 -172.635 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 115' ' ' SER . . . . . . . . . . . . . 30.9 t -142.29 92.02 2.39 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.159 164.876 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 116' ' ' ARG . . . . . 0.714 ' O ' ' HG3' ' B' ' 116' ' ' ARG . 32.0 ptt180 -108.64 75.72 0.98 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.103 -0.499 . . . . 0.0 111.247 -164.689 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 117' ' ' GLU . . . . . 0.484 ' HA ' ' HA ' ' B' ' 103' ' ' LYS . 13.9 pt-20 -72.66 148.44 44.78 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.198 175.621 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 118' ' ' PHE . . . . . 0.417 ' HB3' ' HG3' ' B' ' 120' ' ' ARG . 52.4 m-85 -117.21 169.24 9.62 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.141 -174.501 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 119' ' ' HIS . . . . . . . . . . . . . 78.1 m80 -143.35 60.87 1.4 Allowed 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.248 163.03 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 120' ' ' ARG . . . . . 0.538 ' HB2' ' HB ' ' B' ' 100' ' ' VAL . 96.7 mtt180 -75.9 85.37 2.84 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.142 -165.24 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 121' ' ' LYS . . . . . 0.442 ' HB3' ' HB2' ' A' ' 113' ' ' PHE . 41.3 ttmt -67.26 76.81 0.15 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.306 -177.328 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 122' ' ' TYR . . . . . 0.461 ' CD1' ' C ' ' B' ' 122' ' ' TYR . 1.8 t80 -80.02 104.91 10.91 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.184 -177.77 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 123' ' ' ARG . . . . . . . . . . . . . 57.8 mtm180 -86.95 139.24 30.8 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.203 -158.478 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 124' ' ' ILE . . . . . . . . . . . . . 78.4 mt -90.68 131.08 38.81 Favored Pre-proline 0 C--N 1.33 -0.249 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.263 -173.526 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 125' ' ' PRO . . . . . . . . . . . . . 83.0 Cg_exo -50.04 144.6 21.59 Favored 'Trans proline' 0 N--CA 1.458 -0.612 0 C-N-CA 121.62 1.546 . . . . 0.0 111.223 175.553 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 126' ' ' ALA . . . . . . . . . . . . . . . -64.39 -11.59 34.41 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.197 -179.51 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 127' ' ' ASP . . . . . . . . . . . . . 82.3 m-20 -99.37 11.13 39.98 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.234 -179.787 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 128' ' ' VAL . . . . . 0.417 HG22 ' HG2' ' B' ' 149' ' ' ARG . 74.9 t -125.33 136.39 60.99 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.38 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.267 -178.875 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 129' ' ' ASP . . . . . . . . . . . . . 60.2 t0 -87.1 117.38 68.54 Favored Pre-proline 0 C--N 1.328 -0.35 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.073 -174.285 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 130' ' ' PRO . . . . . . . . . . . . . 73.4 Cg_endo -76.75 -8.0 17.82 Favored 'Trans proline' 0 N--CA 1.458 -0.604 0 C-N-CA 121.649 1.566 . . . . 0.0 111.227 -173.561 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 131' ' ' LEU . . . . . . . . . . . . . 92.6 mt -99.2 6.0 46.52 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.171 -177.797 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 132' ' ' THR . . . . . . . . . . . . . 67.1 p -123.19 12.99 9.61 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.339 -0.392 . . . . 0.0 111.183 -178.883 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 133' ' ' ILE . . . . . . . . . . . . . 37.5 pt -97.16 146.14 8.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.151 -179.444 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 134' ' ' THR . . . . . . . . . . . . . 87.2 m -139.25 97.25 3.25 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.22 -176.729 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 135' ' ' SER . . . . . 0.463 ' HA ' ' HA ' ' B' ' 145' ' ' VAL . 67.6 p -66.58 156.08 36.02 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.232 173.478 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 136' ' ' SER . . . . . . . . . . . . . 97.6 p -164.2 157.86 18.42 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.124 -179.758 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 137' ' ' LEU . . . . . . . . . . . . . 94.1 mt -114.73 152.75 31.5 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.148 -177.486 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 138' ' ' SER . . . . . . . . . . . . . 28.9 p -108.01 -179.37 3.88 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.22 175.826 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 139' ' ' SER . . . . . . . . . . . . . 86.5 p -69.27 -17.42 63.75 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.14 176.017 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 140' ' ' ASP . . . . . . . . . . . . . 85.3 m-20 -97.51 -6.42 33.72 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.138 178.877 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 141' ' ' GLY . . . . . . . . . . . . . . . 88.89 25.4 29.64 Favored Glycine 0 CA--C 1.524 0.634 0 N-CA-C 111.264 -0.734 . . . . 0.0 111.264 -179.721 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 142' ' ' VAL . . . . . . . . . . . . . 98.4 t -80.94 103.99 8.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-O 120.886 0.374 . . . . 0.0 111.185 179.26 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 143' ' ' LEU . . . . . . . . . . . . . 59.7 tp -87.57 121.16 29.65 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.176 178.55 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 144' ' ' THR . . . . . . . . . . . . . 91.3 m -133.68 117.45 17.0 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.183 179.254 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 145' ' ' VAL . . . . . 0.463 ' HA ' ' HA ' ' B' ' 135' ' ' SER . 7.5 p -110.72 135.15 50.7 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.134 174.853 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 146' ' ' ASP . . . . . 0.515 ' OD1' ' O ' ' B' ' 146' ' ' ASP . 20.2 p30 -162.07 143.21 10.68 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.181 -164.897 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 147' ' ' GLY . . . . . 0.407 ' HA2' ' HD3' ' B' ' 148' ' ' PRO . . . -166.35 149.01 14.37 Favored Glycine 0 CA--C 1.525 0.661 0 N-CA-C 111.158 -0.777 . . . . 0.0 111.158 -175.57 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 148' ' ' PRO . . . . . 0.407 ' HD3' ' HA2' ' B' ' 147' ' ' GLY . 87.0 Cg_exo -56.57 147.22 71.2 Favored 'Trans proline' 0 N--CA 1.459 -0.519 0 C-N-CA 121.59 1.527 . . . . 0.0 111.291 -177.536 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 149' ' ' ARG . . . . . 0.417 ' HG2' HG22 ' B' ' 128' ' ' VAL . 67.6 mtp180 . . . . . 0 C--N 1.327 -0.378 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.24 173.264 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 67' ' ' GLU . . . . . 0.559 ' N ' ' HH ' ' A' ' 122' ' ' TYR . 79.9 mm-40 . . . . . 0 C--O 1.232 0.155 0 CA-C-O 120.762 0.315 . . . . 0.0 111.106 . . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 68' ' ' MET . . . . . . . . . . . . . 59.9 ttm -72.89 123.43 23.4 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.318 -0.401 . . . . 0.0 111.236 177.609 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 78.1 ttt180 -121.9 115.08 21.94 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.245 174.996 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 62.7 tp -78.13 105.68 9.51 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.178 178.829 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 71' ' ' GLU . . . . . 0.532 ' O ' ' C ' ' A' ' 72' ' ' LYS . 80.9 mm-40 -70.6 -177.55 1.55 Allowed 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.266 167.023 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 72' ' ' LYS . . . . . 0.532 ' C ' ' O ' ' A' ' 71' ' ' GLU . 88.0 tttt -27.26 -61.66 0.09 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.302 -0.408 . . . . 0.0 111.15 -176.456 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 58.1 p-10 -144.55 44.59 1.4 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.276 -177.595 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 74' ' ' ARG . . . . . 0.416 ' O ' ' N ' ' A' ' 71' ' ' GLU . 20.6 ptp180 -178.57 144.27 0.28 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.158 -178.09 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 75' ' ' PHE . . . . . 0.437 ' CD1' ' C ' ' A' ' 75' ' ' PHE . 7.4 p90 -108.36 155.47 20.5 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.292 -0.413 . . . . 0.0 111.191 -173.016 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 38.1 t -138.2 125.99 22.4 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.197 174.076 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 64.1 t -98.87 109.74 24.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.212 -174.377 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 62.2 t-20 -84.62 85.63 7.4 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.193 -178.809 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 79' ' ' LEU . . . . . 0.408 HD12 ' HG ' ' A' ' 143' ' ' LEU . 74.5 mt -77.83 135.71 37.98 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.257 -172.985 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 66.1 t0 -91.22 117.92 30.03 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.19 -177.938 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 85.5 t -107.33 114.57 46.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.061 -0.518 . . . . 0.0 111.233 176.026 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 88.1 tttt -106.58 93.77 4.77 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.218 -173.738 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 79.8 m-70 61.84 49.93 4.53 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.218 175.035 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 84' ' ' PHE . . . . . 0.434 ' HA ' ' HB2' ' A' ' 104' ' ' HIS . 91.5 m-85 -119.93 149.43 42.13 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.314 172.37 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 85' ' ' SER . . . . . 0.431 ' O ' ' HG ' ' A' ' 89' ' ' LEU . 67.8 m -91.86 137.53 25.32 Favored Pre-proline 0 C--N 1.328 -0.348 0 CA-C-N 116.33 -0.395 . . . . 0.0 111.144 -178.862 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 55.7 Cg_endo -67.9 -15.57 44.0 Favored 'Trans proline' 0 N--CA 1.457 -0.64 0 C-N-CA 121.641 1.561 . . . . 0.0 111.252 179.74 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 99.0 mt-10 -78.43 -15.25 58.86 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.234 172.338 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 73.0 mt-10 -120.58 -4.58 9.79 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.214 -179.119 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 89' ' ' LEU . . . . . 0.431 ' HG ' ' O ' ' A' ' 85' ' ' SER . 91.5 mt -82.36 140.22 33.64 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.14 170.283 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 97.8 mttt -134.62 64.88 1.58 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.125 -0.488 . . . . 0.0 111.125 -179.261 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 13.3 p -60.27 135.35 25.03 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.286 -0.415 . . . . 0.0 111.192 178.411 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 92' ' ' LYS . . . . . 0.412 ' O ' ' N ' ' A' ' 99' ' ' GLU . 86.8 tttt -153.68 156.73 38.4 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.235 -173.013 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 33.7 m -124.42 160.72 28.65 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.214 167.608 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 25.2 tp -144.93 70.67 1.28 Allowed 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.191 177.925 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 82.08 -103.14 2.34 Favored Glycine 0 CA--C 1.523 0.571 0 N-CA-C 111.216 -0.753 . . . . 0.0 111.216 179.714 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 51.2 p-10 -103.44 21.3 16.26 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.849 0.357 . . . . 0.0 111.236 -177.385 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 97' ' ' VAL . . . . . 0.467 ' HA ' ' HA ' ' A' ' 123' ' ' ARG . 33.9 m -131.22 162.32 39.48 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.215 171.748 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 98' ' ' ILE . . . . . . . . . . . . . 63.4 mt -118.08 94.5 3.11 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.38 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.236 172.842 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 99' ' ' GLU . . . . . 0.412 ' N ' ' O ' ' A' ' 92' ' ' LYS . 57.2 mt-10 -72.45 78.81 1.04 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.361 -0.381 . . . . 0.0 111.208 -176.052 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 100' ' ' VAL . . . . . 0.485 ' HB ' ' HB2' ' A' ' 120' ' ' ARG . 47.8 t -76.77 77.92 0.62 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.167 -178.22 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 101' ' ' HIS . . . . . . . . . . . . . 63.5 t-80 -81.59 151.11 27.83 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.058 176.085 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . -179.15 161.05 26.95 Favored Glycine 0 CA--C 1.521 0.461 0 N-CA-C 111.217 -0.753 . . . . 0.0 111.217 177.158 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 103' ' ' LYS . . . . . 0.456 ' HA ' ' O ' ' A' ' 116' ' ' ARG . 64.2 pttt -156.2 151.87 27.14 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-O 120.778 0.323 . . . . 0.0 111.172 176.451 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 104' ' ' HIS . . . . . 0.434 ' HB2' ' HA ' ' A' ' 84' ' ' PHE . 27.0 t-80 -129.59 115.25 17.12 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.284 -0.416 . . . . 0.0 111.19 161.837 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 105' ' ' GLU . . . . . 0.566 ' O ' ' C ' ' A' ' 106' ' ' GLU . 98.2 mt-10 -66.43 -175.52 0.37 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.254 -177.516 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 106' ' ' GLU . . . . . 0.566 ' C ' ' O ' ' A' ' 105' ' ' GLU . 99.3 mt-10 -25.64 116.44 0.06 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.266 -0.425 . . . . 0.0 111.152 -170.964 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 54.1 ttp180 -134.9 74.77 1.54 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.113 -161.574 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 108' ' ' GLN . . . . . . . . . . . . . 73.6 tp60 -45.48 109.44 0.17 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.154 178.28 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 14.3 t0 -164.15 -136.73 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.193 -172.722 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 99.7 mt-10 -46.22 -64.46 0.75 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.252 -178.306 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 111' ' ' HIS . . . . . . . . . . . . . 69.8 m80 -111.43 79.8 1.25 Allowed 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.103 -175.966 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 112' ' ' GLY . . . . . 0.409 ' HA3' ' HA ' ' B' ' 122' ' ' TYR . . . 55.34 -134.1 48.89 Favored Glycine 0 CA--C 1.522 0.529 0 N-CA-C 111.209 -0.757 . . . . 0.0 111.209 -178.483 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 113' ' ' PHE . . . . . 0.486 ' O ' ' N ' ' B' ' 121' ' ' LYS . 97.5 m-85 -89.17 130.07 35.66 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.78 0.324 . . . . 0.0 111.223 172.36 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 114' ' ' ILE . . . . . . . . . . . . . 5.1 mp -118.57 99.24 7.57 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 CA-C-N 116.294 -0.412 . . . . 0.0 111.105 -178.532 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 115' ' ' SER . . . . . 0.426 ' HB3' ' HB3' ' B' ' 119' ' ' HIS . 46.3 t -92.98 94.2 8.77 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.295 174.961 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 116' ' ' ARG . . . . . 0.49 ' HA ' ' HA ' ' B' ' 118' ' ' PHE . 42.4 ttm180 -121.48 104.58 9.77 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.154 -162.724 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 85.9 tt0 -101.74 121.17 41.55 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.166 175.378 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 118' ' ' PHE . . . . . 0.48 ' HA ' ' HA ' ' B' ' 116' ' ' ARG . 39.5 p90 -124.73 165.95 17.04 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.345 -171.821 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 119' ' ' HIS . . . . . 0.432 ' HB3' ' HB3' ' B' ' 115' ' ' SER . 19.1 t-160 -148.12 81.57 1.48 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.183 -179.904 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 120' ' ' ARG . . . . . 0.485 ' HB2' ' HB ' ' A' ' 100' ' ' VAL . 87.5 mtm180 -86.04 82.1 8.23 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.175 -173.82 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 121' ' ' LYS . . . . . 0.477 ' N ' ' O ' ' B' ' 113' ' ' PHE . 41.7 ttmt -68.59 78.93 0.28 Allowed 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.227 -179.038 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 122' ' ' TYR . . . . . 0.559 ' HH ' ' N ' ' A' ' 67' ' ' GLU . 3.4 t80 -72.55 110.18 6.74 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.291 -176.381 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 123' ' ' ARG . . . . . 0.467 ' HA ' ' HA ' ' A' ' 97' ' ' VAL . 49.8 ttt180 -94.08 143.54 26.27 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.116 -159.341 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 124' ' ' ILE . . . . . 0.411 HG21 ' HB ' ' A' ' 128' ' ' VAL . 13.2 mt -109.95 136.56 20.4 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.194 -176.493 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 125' ' ' PRO . . . . . . . . . . . . . 72.1 Cg_exo -46.24 153.32 1.09 Allowed 'Trans proline' 0 N--CA 1.458 -0.574 0 C-N-CA 121.665 1.577 . . . . 0.0 111.199 165.704 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . -77.41 7.64 5.14 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.106 -167.22 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 127' ' ' ASP . . . . . . . . . . . . . 95.2 m-20 -84.02 -8.23 59.19 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.21 -179.374 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 128' ' ' VAL . . . . . 0.411 ' HB ' HG21 ' A' ' 124' ' ' ILE . 10.6 p -78.71 150.2 5.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.207 -171.462 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 64.7 t0 -101.56 109.84 60.23 Favored Pre-proline 0 C--N 1.327 -0.396 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.194 167.464 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 130' ' ' PRO . . . . . . . . . . . . . 94.2 Cg_exo -55.3 -31.52 77.18 Favored 'Trans proline' 0 N--CA 1.458 -0.608 0 C-N-CA 121.708 1.605 . . . . 0.0 111.242 -173.351 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 131' ' ' LEU . . . . . . . . . . . . . 96.7 mt -82.78 -2.84 55.61 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.169 -169.38 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 132' ' ' THR . . . . . . . . . . . . . 70.9 p -112.85 10.83 19.13 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.269 -179.079 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 133' ' ' ILE . . . . . . . . . . . . . 94.2 mt -90.51 125.27 43.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.224 179.152 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 134' ' ' THR . . . . . . . . . . . . . 92.7 m -125.19 124.85 42.63 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.264 -0.425 . . . . 0.0 111.312 178.538 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 135' ' ' SER . . . . . . . . . . . . . 85.0 p -95.11 163.04 13.46 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.31 -0.404 . . . . 0.0 111.166 178.512 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 136' ' ' SER . . . . . . . . . . . . . 44.5 t -153.61 114.61 4.1 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.152 -0.477 . . . . 0.0 111.202 175.664 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 137' ' ' LEU . . . . . . . . . . . . . 50.1 tp -101.69 110.75 22.8 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.249 -175.671 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 138' ' ' SER . . . . . . . . . . . . . 33.3 t -82.74 143.05 31.15 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.267 171.136 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 139' ' ' SER . . . . . . . . . . . . . 88.5 p -72.46 -10.92 60.39 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.212 179.007 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 140' ' ' ASP . . . . . . . . . . . . . 94.0 m-20 -81.62 -18.23 45.42 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.192 177.971 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 141' ' ' GLY . . . . . . . . . . . . . . . 112.77 11.63 14.14 Favored Glycine 0 CA--C 1.524 0.602 0 N-CA-C 111.326 -0.71 . . . . 0.0 111.326 179.338 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 142' ' ' VAL . . . . . . . . . . . . . 48.9 t -94.76 79.56 1.2 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.241 0 CA-C-O 120.767 0.318 . . . . 0.0 111.259 176.844 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 143' ' ' LEU . . . . . 0.408 ' HG ' HD12 ' A' ' 79' ' ' LEU . 60.0 tp -88.63 124.77 34.39 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.147 176.313 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 144' ' ' THR . . . . . . . . . . . . . 91.5 m -127.37 124.09 37.78 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.176 -177.788 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 145' ' ' VAL . . . . . . . . . . . . . 60.2 t -118.6 118.82 59.2 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.229 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.104 174.728 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 146' ' ' ASP . . . . . 0.434 ' C ' ' OD1' ' A' ' 146' ' ' ASP . 20.7 p30 -134.86 160.89 36.8 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.235 -170.259 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 147' ' ' GLY . . . . . 0.437 ' HA2' ' HD3' ' A' ' 148' ' ' PRO . . . 176.8 133.8 1.87 Allowed Glycine 0 CA--C 1.524 0.647 0 N-CA-C 111.303 -0.719 . . . . 0.0 111.303 -177.983 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 148' ' ' PRO . . . . . 0.437 ' HD3' ' HA2' ' A' ' 147' ' ' GLY . 51.9 Cg_exo -58.83 148.33 84.26 Favored 'Trans proline' 0 N--CA 1.457 -0.665 0 C-N-CA 121.782 1.655 . . . . 0.0 111.161 177.639 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 149' ' ' ARG . . . . . . . . . . . . . 34.9 ptt180 . . . . . 0 C--N 1.329 -0.303 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.233 173.448 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' B' B ' 67' ' ' GLU . . . . . 0.553 ' N ' ' HH ' ' B' ' 122' ' ' TYR . 79.8 mm-40 . . . . . 0 C--O 1.232 0.149 0 CA-C-O 120.66 0.267 . . . . 0.0 111.095 . . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 68' ' ' MET . . . . . . . . . . . . . 59.9 ttm -73.04 123.48 23.62 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.222 177.672 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 69' ' ' ARG . . . . . . . . . . . . . 78.2 ttt180 -121.92 115.04 21.86 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.239 175.056 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 70' ' ' LEU . . . . . . . . . . . . . 62.4 tp -78.04 105.84 9.52 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.255 178.761 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 71' ' ' GLU . . . . . 0.533 ' O ' ' C ' ' B' ' 72' ' ' LYS . 80.9 mm-40 -70.79 -177.63 1.64 Allowed 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.244 167.018 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 72' ' ' LYS . . . . . 0.533 ' C ' ' O ' ' B' ' 71' ' ' GLU . 88.0 tttt -27.25 -61.6 0.09 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.192 -176.352 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 73' ' ' ASP . . . . . . . . . . . . . 58.0 p-10 -144.56 44.55 1.39 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.27 -177.555 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 74' ' ' ARG . . . . . . . . . . . . . 20.6 ptp180 -178.58 144.25 0.28 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.195 -178.04 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 75' ' ' PHE . . . . . 0.425 ' CD1' ' C ' ' B' ' 75' ' ' PHE . 7.6 p90 -108.48 155.5 20.54 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.109 -172.985 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 76' ' ' SER . . . . . . . . . . . . . 38.2 t -138.18 126.08 22.55 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.091 -0.504 . . . . 0.0 111.174 174.084 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 77' ' ' VAL . . . . . . . . . . . . . 64.2 t -98.82 109.81 24.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.172 -174.361 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 78' ' ' ASN . . . . . . . . . . . . . 62.2 t-20 -84.74 85.54 7.43 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.254 -178.841 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 79' ' ' LEU . . . . . 0.407 HD12 ' HG ' ' B' ' 143' ' ' LEU . 75.0 mt -77.84 135.65 37.96 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.166 -172.86 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 80' ' ' ASP . . . . . . . . . . . . . 66.0 t0 -91.1 117.66 29.78 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.112 -0.494 . . . . 0.0 111.215 -177.896 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 81' ' ' VAL . . . . . . . . . . . . . 87.3 t -107.11 114.62 46.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.25 175.966 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 82' ' ' LYS . . . . . . . . . . . . . 88.1 tttt -106.54 93.65 4.71 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.244 -173.81 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 83' ' ' HIS . . . . . . . . . . . . . 79.5 m-70 62.01 49.93 4.35 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.149 174.953 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 84' ' ' PHE . . . . . 0.444 ' HA ' ' HB2' ' B' ' 104' ' ' HIS . 91.7 m-85 -120.1 149.41 42.25 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.203 172.344 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 85' ' ' SER . . . . . 0.43 ' O ' ' HG ' ' B' ' 89' ' ' LEU . 67.5 m -91.8 137.47 25.44 Favored Pre-proline 0 C--N 1.33 -0.24 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.129 -178.811 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 86' ' ' PRO . . . . . . . . . . . . . 55.7 Cg_endo -67.82 -15.69 44.5 Favored 'Trans proline' 0 N--CA 1.459 -0.556 0 C-N-CA 121.721 1.614 . . . . 0.0 111.179 179.763 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 87' ' ' GLU . . . . . . . . . . . . . 99.1 mt-10 -78.6 -14.96 59.06 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.278 172.397 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 88' ' ' GLU . . . . . . . . . . . . . 73.4 mt-10 -120.68 -4.56 9.75 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.205 -179.235 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 89' ' ' LEU . . . . . 0.43 ' HG ' ' O ' ' B' ' 85' ' ' SER . 92.0 mt -82.3 140.14 33.76 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.191 170.224 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 90' ' ' LYS . . . . . . . . . . . . . 97.9 mttt -134.68 64.9 1.58 Allowed 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.147 -179.319 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 91' ' ' VAL . . . . . . . . . . . . . 13.1 p -60.05 135.25 24.89 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.242 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.32 178.236 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 92' ' ' LYS . . . . . 0.421 ' O ' ' N ' ' B' ' 99' ' ' GLU . 86.9 tttt -153.64 156.61 38.24 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.223 -172.972 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 93' ' ' VAL . . . . . . . . . . . . . 33.6 m -124.3 160.68 28.41 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.279 -0.419 . . . . 0.0 111.268 167.546 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 94' ' ' LEU . . . . . . . . . . . . . 25.2 tp -144.91 70.68 1.28 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.206 177.824 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 95' ' ' GLY . . . . . . . . . . . . . . . 82.28 -103.23 2.37 Favored Glycine 0 CA--C 1.523 0.571 0 N-CA-C 111.161 -0.775 . . . . 0.0 111.161 179.618 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 96' ' ' ASP . . . . . . . . . . . . . 51.2 p-10 -103.48 21.37 16.16 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.769 0.318 . . . . 0.0 111.174 -177.399 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 97' ' ' VAL . . . . . 0.457 ' HA ' ' HA ' ' B' ' 123' ' ' ARG . 33.9 m -131.23 162.32 39.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.142 171.701 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 98' ' ' ILE . . . . . . . . . . . . . 63.3 mt -118.1 94.5 3.11 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.234 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.276 172.823 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 99' ' ' GLU . . . . . 0.421 ' N ' ' O ' ' B' ' 92' ' ' LYS . 57.1 mt-10 -72.39 78.91 1.02 Allowed 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.18 -176.005 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 100' ' ' VAL . . . . . 0.498 ' HB ' ' HB2' ' B' ' 120' ' ' ARG . 47.9 t -76.84 77.83 0.63 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.368 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.208 -178.223 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 101' ' ' HIS . . . . . . . . . . . . . 63.7 t-80 -81.4 151.15 28.05 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.158 176.064 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 102' ' ' GLY . . . . . 0.402 ' HA2' ' HA ' ' B' ' 89' ' ' LEU . . . -179.24 160.96 26.76 Favored Glycine 0 CA--C 1.524 0.611 0 N-CA-C 111.216 -0.754 . . . . 0.0 111.216 177.244 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 103' ' ' LYS . . . . . 0.448 ' HA ' ' O ' ' B' ' 116' ' ' ARG . 64.2 pttt -156.15 151.89 27.24 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.658 0.266 . . . . 0.0 111.267 176.482 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 104' ' ' HIS . . . . . 0.444 ' HB2' ' HA ' ' B' ' 84' ' ' PHE . 26.7 t-80 -129.72 115.31 17.14 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.211 161.866 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 105' ' ' GLU . . . . . 0.561 ' O ' ' C ' ' B' ' 106' ' ' GLU . 98.2 mt-10 -66.59 -175.57 0.39 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.141 -177.339 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 106' ' ' GLU . . . . . 0.561 ' C ' ' O ' ' B' ' 105' ' ' GLU . 99.2 mt-10 -25.56 116.42 0.06 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.21 -170.988 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 107' ' ' ARG . . . . . . . . . . . . . 54.0 ttp180 -134.83 74.64 1.53 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.272 -161.648 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 108' ' ' GLN . . . . . . . . . . . . . 73.6 tp60 -45.3 109.42 0.17 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.208 178.284 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 109' ' ' ASP . . . . . . . . . . . . . 14.4 t0 -164.15 -136.77 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.116 -172.553 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 110' ' ' GLU . . . . . . . . . . . . . 99.8 mt-10 -46.34 -64.49 0.74 Allowed 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.172 -178.282 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 111' ' ' HIS . . . . . . . . . . . . . 69.6 m80 -111.26 79.74 1.24 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.163 -0.472 . . . . 0.0 111.189 -176.005 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 112' ' ' GLY . . . . . 0.403 ' HA3' ' HA ' ' A' ' 122' ' ' TYR . . . 55.37 -134.02 49.01 Favored Glycine 0 CA--C 1.522 0.512 0 N-CA-C 111.266 -0.734 . . . . 0.0 111.266 -178.477 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 113' ' ' PHE . . . . . 0.477 ' O ' ' N ' ' A' ' 121' ' ' LYS . 97.3 m-85 -89.37 130.13 35.79 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.824 0.345 . . . . 0.0 111.049 172.469 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 114' ' ' ILE . . . . . . . . . . . . . 5.0 mp -118.65 99.27 7.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.19 -178.59 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 115' ' ' SER . . . . . 0.432 ' HB3' ' HB3' ' A' ' 119' ' ' HIS . 46.1 t -93.04 94.17 8.73 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.228 175.145 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 116' ' ' ARG . . . . . 0.48 ' HA ' ' HA ' ' A' ' 118' ' ' PHE . 42.4 ttm180 -121.44 104.44 9.68 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.166 -162.661 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 117' ' ' GLU . . . . . . . . . . . . . 86.1 tt0 -101.63 121.06 41.31 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.203 175.389 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 118' ' ' PHE . . . . . 0.49 ' HA ' ' HA ' ' A' ' 116' ' ' ARG . 39.6 p90 -124.79 165.98 17.02 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.233 -171.784 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 119' ' ' HIS . . . . . 0.426 ' HB3' ' HB3' ' A' ' 115' ' ' SER . 19.2 t-160 -148.03 81.55 1.49 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.287 -0.415 . . . . 0.0 111.212 -179.886 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 120' ' ' ARG . . . . . 0.498 ' HB2' ' HB ' ' B' ' 100' ' ' VAL . 87.6 mtm180 -86.01 81.98 8.28 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.161 -173.808 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 121' ' ' LYS . . . . . 0.486 ' N ' ' O ' ' A' ' 113' ' ' PHE . 41.8 ttmt -68.59 78.95 0.28 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.257 -179.05 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 122' ' ' TYR . . . . . 0.553 ' HH ' ' N ' ' B' ' 67' ' ' GLU . 3.3 t80 -72.48 110.11 6.64 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.321 -176.421 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 123' ' ' ARG . . . . . 0.457 ' HA ' ' HA ' ' B' ' 97' ' ' VAL . 50.4 ttt180 -94.0 143.61 26.2 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.274 -159.485 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 124' ' ' ILE . . . . . . . . . . . . . 13.3 mt -109.95 136.54 20.4 Favored Pre-proline 0 C--N 1.33 -0.267 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.147 -176.41 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 125' ' ' PRO . . . . . . . . . . . . . 71.6 Cg_exo -46.37 153.35 1.15 Allowed 'Trans proline' 0 N--CA 1.458 -0.582 0 C-N-CA 121.63 1.553 . . . . 0.0 111.201 165.706 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 126' ' ' ALA . . . . . . . . . . . . . . . -77.41 7.57 5.22 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.049 -167.069 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 127' ' ' ASP . . . . . . . . . . . . . 95.0 m-20 -84.0 -8.17 59.21 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.333 -0.394 . . . . 0.0 111.226 -179.397 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 128' ' ' VAL . . . . . . . . . . . . . 10.6 p -78.83 150.18 5.36 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.234 -171.504 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 129' ' ' ASP . . . . . . . . . . . . . 64.8 t0 -101.39 109.81 59.89 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.21 167.511 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 130' ' ' PRO . . . . . . . . . . . . . 93.3 Cg_exo -55.43 -31.47 77.93 Favored 'Trans proline' 0 N--CA 1.458 -0.604 0 C-N-CA 121.667 1.578 . . . . 0.0 111.129 -173.315 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 131' ' ' LEU . . . . . . . . . . . . . 96.8 mt -82.68 -2.9 55.43 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.178 -169.444 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 132' ' ' THR . . . . . . . . . . . . . 69.7 p -112.92 10.78 19.01 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.196 -178.931 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 133' ' ' ILE . . . . . . . . . . . . . 94.4 mt -90.51 125.34 43.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.193 179.188 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 134' ' ' THR . . . . . . . . . . . . . 92.9 m -125.34 124.9 42.56 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.219 178.576 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 135' ' ' SER . . . . . . . . . . . . . 85.3 p -95.15 163.15 13.41 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.183 178.505 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 136' ' ' SER . . . . . . . . . . . . . 44.5 t -153.55 114.54 4.1 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.204 175.71 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 137' ' ' LEU . . . . . . . . . . . . . 49.9 tp -101.64 110.75 22.81 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.207 -175.697 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 138' ' ' SER . . . . . . . . . . . . . 32.9 t -82.76 143.15 31.06 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.208 171.156 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 139' ' ' SER . . . . . . . . . . . . . 88.9 p -72.51 -10.83 60.27 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.218 179.017 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 140' ' ' ASP . . . . . . . . . . . . . 93.7 m-20 -81.68 -18.26 45.12 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.134 -0.484 . . . . 0.0 111.215 177.899 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 141' ' ' GLY . . . . . . . . . . . . . . . 112.85 11.61 13.99 Favored Glycine 0 CA--C 1.523 0.539 0 N-CA-C 111.268 -0.733 . . . . 0.0 111.268 179.309 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 142' ' ' VAL . . . . . . . . . . . . . 48.9 t -94.74 79.5 1.2 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-O 120.789 0.328 . . . . 0.0 111.208 176.889 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 143' ' ' LEU . . . . . 0.407 ' HG ' HD12 ' B' ' 79' ' ' LEU . 59.7 tp -88.61 124.63 34.25 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.129 176.295 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 144' ' ' THR . . . . . . . . . . . . . 92.0 m -127.24 124.16 38.21 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.144 -177.82 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 145' ' ' VAL . . . . . . . . . . . . . 60.8 t -118.67 118.82 59.15 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.208 174.617 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 146' ' ' ASP . . . . . 0.431 ' OD1' ' C ' ' B' ' 146' ' ' ASP . 20.8 p30 -134.87 160.75 37.25 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.23 -170.045 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 147' ' ' GLY . . . . . 0.435 ' HA2' ' HD3' ' B' ' 148' ' ' PRO . . . 176.87 133.95 1.9 Allowed Glycine 0 CA--C 1.523 0.567 0 N-CA-C 111.212 -0.755 . . . . 0.0 111.212 -178.031 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 148' ' ' PRO . . . . . 0.435 ' HD3' ' HA2' ' B' ' 147' ' ' GLY . 52.1 Cg_exo -58.92 148.38 84.77 Favored 'Trans proline' 0 N--CA 1.458 -0.604 0 C-N-CA 121.772 1.648 . . . . 0.0 111.147 177.515 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 149' ' ' ARG . . . . . . . . . . . . . 34.8 ptt180 . . . . . 0 C--N 1.33 -0.264 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.185 173.534 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 63.4 mt-10 . . . . . 0 C--O 1.231 0.124 0 CA-C-O 120.865 0.364 . . . . 0.0 111.253 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 68' ' ' MET . . . . . . . . . . . . . 55.2 ttp -73.01 119.87 17.85 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.163 172.226 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 37.7 ptt180 -163.71 153.49 14.89 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.243 178.118 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 49.2 tp -100.11 115.95 30.99 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.234 166.005 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 71' ' ' GLU . . . . . 0.472 ' O ' ' C ' ' A' ' 72' ' ' LYS . 98.5 mt-10 -71.41 -175.93 1.39 Allowed 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.087 -0.506 . . . . 0.0 111.325 173.88 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 72' ' ' LYS . . . . . 0.472 ' C ' ' O ' ' A' ' 71' ' ' GLU . 88.0 tttt -27.54 -58.99 0.1 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.136 174.041 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 56.5 p-10 -152.82 56.68 0.79 Allowed 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.3 170.225 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 35.0 tpt85 -160.22 106.81 1.57 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.169 -173.034 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 75' ' ' PHE . . . . . . . . . . . . . 77.1 t80 -97.28 130.06 44.51 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.186 -174.781 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 95.3 p -139.79 154.04 47.27 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.282 -0.417 . . . . 0.0 111.184 -178.213 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 95.2 t -133.12 98.21 2.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.245 175.606 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 48.3 t30 -91.58 112.64 24.65 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.26 174.331 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -130.37 159.0 38.32 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.135 -172.555 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 63.6 t0 -90.16 121.48 32.24 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.213 -172.611 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 29.5 m -144.02 31.35 0.25 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.312 173.765 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 98.8 mttt -89.37 45.28 1.27 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.051 -0.522 . . . . 0.0 111.208 -166.863 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 95.5 m-70 -141.32 -5.2 1.1 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.288 179.88 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 84' ' ' PHE . . . . . 0.505 ' CD1' ' HB2' ' A' ' 104' ' ' HIS . 14.0 p90 -155.88 179.18 9.45 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.241 -172.429 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 65.1 m -98.73 158.96 31.53 Favored Pre-proline 0 C--N 1.328 -0.332 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.181 -160.64 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 59.2 Cg_endo -65.29 -15.78 51.59 Favored 'Trans proline' 0 N--CA 1.458 -0.569 0 C-N-CA 121.664 1.576 . . . . 0.0 111.148 173.472 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 98.6 mt-10 -91.03 -22.6 20.69 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.105 174.813 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 45.1 tp10 -75.05 -35.7 61.87 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.183 173.934 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 3.9 pp -99.47 149.25 23.4 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.285 -177.1 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 98.4 mttt -125.49 88.45 2.87 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.268 -179.923 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 96.7 t -69.76 116.96 11.81 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.398 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.237 175.409 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 98.3 mttt -130.63 169.79 15.16 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.304 -0.407 . . . . 0.0 111.271 177.578 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 93' ' ' VAL . . . . . 0.474 ' HA ' ' HA ' ' A' ' 98' ' ' ILE . 34.9 m -113.77 159.15 13.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.282 -0.417 . . . . 0.0 111.23 166.789 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 26.7 tp -142.17 66.45 1.34 Allowed 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.147 176.989 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 74.03 -103.34 1.46 Allowed Glycine 0 CA--C 1.522 0.484 0 N-CA-C 111.23 -0.748 . . . . 0.0 111.23 174.283 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 92.8 m-20 -79.51 -14.43 58.88 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.77 0.319 . . . . 0.0 111.144 -176.369 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 97' ' ' VAL . . . . . 0.555 ' HA ' ' HA ' ' A' ' 123' ' ' ARG . 34.7 m -123.77 175.92 5.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.237 -177.565 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 98' ' ' ILE . . . . . 0.474 ' HA ' ' HA ' ' A' ' 93' ' ' VAL . 83.7 mt -121.49 94.15 2.83 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.4 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.215 178.554 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 88.5 tt0 -73.16 78.29 1.27 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.275 -171.773 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 100' ' ' VAL . . . . . . . . . . . . . 94.8 t -68.54 87.53 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.245 173.723 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 101' ' ' HIS . . . . . 0.406 ' HA ' ' HA ' ' A' ' 119' ' ' HIS . 13.5 t-160 -87.39 64.59 8.29 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.209 -175.36 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . -86.05 168.3 40.81 Favored Glycine 0 CA--C 1.524 0.6 0 N-CA-C 111.28 -0.728 . . . . 0.0 111.28 177.49 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 103' ' ' LYS . . . . . 0.414 ' HA ' ' O ' ' A' ' 116' ' ' ARG . 64.6 pttt -164.21 161.57 22.16 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 120.856 0.36 . . . . 0.0 111.22 176.731 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 104' ' ' HIS . . . . . 0.505 ' HB2' ' CD1' ' A' ' 84' ' ' PHE . 1.5 t-80 -134.02 102.15 5.31 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.14 164.206 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 96.4 mt-10 -88.13 157.08 18.94 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.204 -179.472 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 94.5 mt-10 48.23 49.85 17.12 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.212 -174.755 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 107' ' ' ARG . . . . . 0.442 ' HB3' HG13 ' A' ' 114' ' ' ILE . 74.7 ttt-85 -86.4 82.63 7.9 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.198 -171.329 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 108' ' ' GLN . . . . . . . . . . . . . 73.1 tp60 -56.51 124.15 17.23 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.13 -0.487 . . . . 0.0 111.137 177.084 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 14.4 t0 -150.13 175.94 11.28 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.238 -179.546 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 51.2 tp10 -52.03 -33.73 40.0 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.246 179.686 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 111' ' ' HIS . . . . . . . . . . . . . 85.3 m-70 -131.33 67.77 1.51 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.29 -175.649 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 112' ' ' GLY . . . . . 0.41 ' HA3' ' HA ' ' A' ' 113' ' ' PHE . . . -160.34 -137.84 2.31 Favored Glycine 0 CA--C 1.524 0.634 0 N-CA-C 111.135 -0.786 . . . . 0.0 111.135 179.657 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 113' ' ' PHE . . . . . 0.41 ' HA ' ' HA3' ' A' ' 112' ' ' GLY . 46.9 p90 -76.84 167.38 21.92 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.783 0.325 . . . . 0.0 111.257 9.519 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 114' ' ' ILE . . . . . 0.442 HG13 ' HB3' ' A' ' 107' ' ' ARG . 38.1 pt -128.89 177.29 6.51 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.172 -176.639 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 115' ' ' SER . . . . . 0.443 ' O ' ' HA ' ' B' ' 118' ' ' PHE . 48.0 t -138.44 110.05 7.07 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.219 171.95 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 116' ' ' ARG . . . . . 0.414 ' O ' ' HA ' ' A' ' 103' ' ' LYS . 59.5 ttp180 -105.97 88.4 2.8 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.208 -170.23 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 81.8 tt0 -105.73 114.81 29.19 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.192 -176.983 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 118' ' ' PHE . . . . . 0.439 ' HA ' ' O ' ' B' ' 115' ' ' SER . 27.8 p90 -121.57 161.36 22.52 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.305 -0.407 . . . . 0.0 111.224 -172.202 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 119' ' ' HIS . . . . . 0.418 ' HB2' ' HB3' ' B' ' 115' ' ' SER . 13.4 m80 -131.36 65.99 1.55 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.194 178.362 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 98.9 mtt180 -75.86 96.27 3.67 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.206 -161.908 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 121' ' ' LYS . . . . . . . . . . . . . 98.3 mttt -86.37 76.7 9.62 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.134 -171.595 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 122' ' ' TYR . . . . . . . . . . . . . 97.8 m-85 -64.38 109.98 2.11 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.244 -178.346 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 123' ' ' ARG . . . . . 0.555 ' HA ' ' HA ' ' A' ' 97' ' ' VAL . 56.1 ttt180 -76.81 129.73 36.66 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.092 -166.662 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 124' ' ' ILE . . . . . . . . . . . . . 76.0 mt -82.08 122.77 79.9 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.189 -173.068 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 125' ' ' PRO . . . . . . . . . . . . . 86.4 Cg_exo -49.7 140.48 29.42 Favored 'Trans proline' 0 N--CA 1.458 -0.568 0 C-N-CA 121.773 1.649 . . . . 0.0 111.139 172.917 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . -59.49 -15.78 20.01 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.065 -0.516 . . . . 0.0 111.277 -176.906 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 127' ' ' ASP . . . . . . . . . . . . . 85.1 m-20 -95.12 9.19 40.51 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.19 -177.419 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 128' ' ' VAL . . . . . . . . . . . . . 97.8 t -123.35 133.29 69.56 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 CA-C-N 116.235 -0.438 . . . . 0.0 111.198 -175.962 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 65.5 t0 -87.5 118.79 70.3 Favored Pre-proline 0 C--N 1.328 -0.344 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.205 -179.27 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 130' ' ' PRO . . . . . . . . . . . . . 88.6 Cg_exo -52.71 -32.32 54.7 Favored 'Trans proline' 0 N--CA 1.456 -0.714 0 C-N-CA 121.664 1.576 . . . . 0.0 111.205 -179.271 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 131' ' ' LEU . . . . . . . . . . . . . 95.7 mt -72.16 -21.03 61.51 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.229 -171.949 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 132' ' ' THR . . . . . . . . . . . . . 59.6 p -88.68 -2.2 58.47 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.227 -177.817 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 133' ' ' ILE . . . . . . . . . . . . . 89.2 mt -95.81 120.07 44.71 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.147 -173.931 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 134' ' ' THR . . . . . . . . . . . . . 89.0 m -132.91 136.53 46.21 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.161 179.907 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 135' ' ' SER . . . . . 0.43 ' HA ' ' HA ' ' A' ' 145' ' ' VAL . 83.8 p -81.74 157.45 24.54 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.131 -177.35 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 136' ' ' SER . . . . . . . . . . . . . 44.4 t -150.68 139.5 20.83 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.176 172.181 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 137' ' ' LEU . . . . . . . . . . . . . 7.7 tt -135.47 139.91 44.42 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.204 -171.497 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 138' ' ' SER . . . . . . . . . . . . . 27.4 p -107.08 174.19 6.0 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.171 -176.264 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 139' ' ' SER . . . . . . . . . . . . . 86.4 p -67.63 -19.3 65.2 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.215 178.439 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 140' ' ' ASP . . . . . . . . . . . . . 88.1 m-20 -87.01 -13.08 45.49 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.211 178.298 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 141' ' ' GLY . . . . . . . . . . . . . . . 97.38 20.52 22.45 Favored Glycine 0 CA--C 1.524 0.607 0 N-CA-C 111.128 -0.789 . . . . 0.0 111.128 -179.723 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 142' ' ' VAL . . . . . . . . . . . . . 64.2 t -77.61 88.85 1.01 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-O 120.723 0.296 . . . . 0.0 111.252 179.181 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 143' ' ' LEU . . . . . . . . . . . . . 62.6 tp -96.34 122.98 39.8 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.219 -176.11 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 144' ' ' THR . . . . . . . . . . . . . 90.4 m -130.16 119.48 23.06 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.124 179.342 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 145' ' ' VAL . . . . . 0.43 ' HA ' ' HA ' ' A' ' 135' ' ' SER . 43.7 t -107.97 102.94 14.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.233 179.25 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 146' ' ' ASP . . . . . . . . . . . . . 4.0 p30 -142.86 138.48 30.31 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.156 -158.393 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 147' ' ' GLY . . . . . . . . . . . . . . . -147.01 137.83 6.92 Favored Glycine 0 CA--C 1.522 0.49 0 N-CA-C 111.265 -0.734 . . . . 0.0 111.265 174.44 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 148' ' ' PRO . . . . . . . . . . . . . 75.3 Cg_exo -57.48 151.72 51.88 Favored 'Trans proline' 0 N--CA 1.457 -0.649 0 C-N-CA 121.73 1.62 . . . . 0.0 111.225 -179.754 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 149' ' ' ARG . . . . . . . . . . . . . 74.7 ttt180 . . . . . 0 C--N 1.328 -0.349 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.189 175.378 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' B' B ' 67' ' ' GLU . . . . . . . . . . . . . 63.5 mt-10 . . . . . 0 C--O 1.232 0.163 0 CA-C-O 120.772 0.32 . . . . 0.0 111.185 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' B' B ' 68' ' ' MET . . . . . . . . . . . . . 55.2 ttp -72.94 119.73 17.58 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.163 172.228 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 69' ' ' ARG . . . . . . . . . . . . . 37.8 ptt180 -163.72 153.55 14.94 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.191 178.072 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 70' ' ' LEU . . . . . . . . . . . . . 48.9 tp -100.02 115.99 31.02 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.212 166.151 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 71' ' ' GLU . . . . . 0.486 ' O ' ' C ' ' B' ' 72' ' ' LYS . 98.6 mt-10 -71.55 -175.98 1.45 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.266 174.011 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 72' ' ' LYS . . . . . 0.486 ' C ' ' O ' ' B' ' 71' ' ' GLU . 88.1 tttt -27.54 -58.89 0.1 Allowed 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.205 173.971 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 73' ' ' ASP . . . . . . . . . . . . . 56.4 p-10 -152.87 56.73 0.79 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.172 170.275 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 74' ' ' ARG . . . . . . . . . . . . . 34.8 tpt85 -160.3 106.8 1.55 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.315 -0.402 . . . . 0.0 111.126 -173.019 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 75' ' ' PHE . . . . . . . . . . . . . 77.9 t80 -97.26 129.9 44.52 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.307 -174.839 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 76' ' ' SER . . . . . . . . . . . . . 97.3 p -139.8 154.08 47.27 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.313 -0.403 . . . . 0.0 111.158 -178.212 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 77' ' ' VAL . . . . . . . . . . . . . 96.2 t -133.1 98.19 2.74 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-N 116.112 -0.494 . . . . 0.0 111.249 175.681 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 78' ' ' ASN . . . . . . . . . . . . . 48.2 t30 -91.56 112.76 24.81 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.25 174.273 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 79' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -130.47 158.87 38.74 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.258 -172.577 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 80' ' ' ASP . . . . . . . . . . . . . 63.6 t0 -90.06 121.52 32.21 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.214 -172.49 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 81' ' ' VAL . . . . . . . . . . . . . 30.6 m -144.09 31.4 0.25 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.182 173.77 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 82' ' ' LYS . . . . . . . . . . . . . 98.8 mttt -89.23 45.02 1.25 Allowed 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.209 -166.866 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 83' ' ' HIS . . . . . . . . . . . . . 95.6 m-70 -141.2 -5.15 1.12 Allowed 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.297 179.9 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 84' ' ' PHE . . . . . 0.508 ' CD1' ' HB2' ' B' ' 104' ' ' HIS . 13.7 p90 -155.92 179.22 9.42 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.252 -172.441 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 85' ' ' SER . . . . . . . . . . . . . 65.4 m -98.7 159.05 31.37 Favored Pre-proline 0 C--N 1.327 -0.401 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.23 -160.65 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 86' ' ' PRO . . . . . . . . . . . . . 59.2 Cg_endo -65.35 -15.84 51.71 Favored 'Trans proline' 0 C--N 1.328 -0.521 0 C-N-CA 121.666 1.578 . . . . 0.0 111.208 173.514 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 87' ' ' GLU . . . . . . . . . . . . . 98.6 mt-10 -90.98 -22.58 20.74 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.073 -0.512 . . . . 0.0 111.155 174.775 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 88' ' ' GLU . . . . . . . . . . . . . 45.3 tp10 -74.97 -35.7 62.06 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.24 173.944 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 89' ' ' LEU . . . . . . . . . . . . . 3.9 pp -99.47 149.23 23.42 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.207 -176.981 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 90' ' ' LYS . . . . . . . . . . . . . 98.5 mttt -125.6 88.48 2.87 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.136 -179.928 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 91' ' ' VAL . . . . . . . . . . . . . 96.9 t -69.75 117.11 12.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.169 175.336 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 92' ' ' LYS . . . . . . . . . . . . . 98.3 mttt -130.77 169.74 15.3 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.203 177.611 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 93' ' ' VAL . . . . . 0.48 ' HA ' ' HA ' ' B' ' 98' ' ' ILE . 34.9 m -113.82 159.08 13.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.18 166.844 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 94' ' ' LEU . . . . . . . . . . . . . 27.0 tp -142.13 66.67 1.34 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.171 176.871 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 95' ' ' GLY . . . . . . . . . . . . . . . 73.92 -103.28 1.44 Allowed Glycine 0 CA--C 1.524 0.616 0 N-CA-C 111.195 -0.762 . . . . 0.0 111.195 174.252 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 96' ' ' ASP . . . . . . . . . . . . . 92.4 m-20 -79.55 -14.47 58.82 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-O 120.78 0.324 . . . . 0.0 111.171 -176.337 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 97' ' ' VAL . . . . . 0.582 ' HA ' ' HA ' ' B' ' 123' ' ' ARG . 34.7 m -123.75 175.8 6.02 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.186 -177.518 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 98' ' ' ILE . . . . . 0.48 ' HA ' ' HA ' ' B' ' 93' ' ' VAL . 83.4 mt -121.47 94.33 2.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.266 -0.424 . . . . 0.0 111.153 178.528 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 99' ' ' GLU . . . . . . . . . . . . . 88.4 tt0 -73.26 78.23 1.31 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.286 -171.864 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 100' ' ' VAL . . . . . 0.402 ' HB ' ' HB2' ' B' ' 120' ' ' ARG . 94.7 t -68.57 87.63 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.202 173.744 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 101' ' ' HIS . . . . . . . . . . . . . 13.7 t-160 -87.36 64.54 8.29 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.239 -175.425 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 102' ' ' GLY . . . . . . . . . . . . . . . -86.05 168.24 40.76 Favored Glycine 0 CA--C 1.523 0.586 0 N-CA-C 111.351 -0.7 . . . . 0.0 111.351 177.507 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 103' ' ' LYS . . . . . 0.411 ' HA ' ' O ' ' B' ' 116' ' ' ARG . 64.6 pttt -164.12 161.55 22.41 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-O 120.816 0.341 . . . . 0.0 111.187 176.827 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 104' ' ' HIS . . . . . 0.508 ' HB2' ' CD1' ' B' ' 84' ' ' PHE . 1.5 t-80 -133.97 102.16 5.32 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.219 164.06 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 105' ' ' GLU . . . . . . . . . . . . . 96.4 mt-10 -88.27 157.02 18.89 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.221 -179.48 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 106' ' ' GLU . . . . . . . . . . . . . 94.6 mt-10 48.33 49.96 17.18 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.222 -174.679 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 107' ' ' ARG . . . . . 0.451 ' HB3' HG13 ' B' ' 114' ' ' ILE . 74.7 ttt-85 -86.48 82.53 7.91 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.273 -171.364 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 108' ' ' GLN . . . . . . . . . . . . . 73.1 tp60 -56.59 124.11 17.16 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.131 177.175 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 109' ' ' ASP . . . . . . . . . . . . . 14.3 t0 -150.07 175.97 11.24 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.218 -179.548 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 110' ' ' GLU . . . . . . . . . . . . . 51.5 tp10 -52.05 -33.75 40.33 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.208 179.726 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 111' ' ' HIS . . . . . . . . . . . . . 85.6 m-70 -131.29 67.83 1.51 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.15 -175.601 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 112' ' ' GLY . . . . . . . . . . . . . . . -160.42 -137.9 2.32 Favored Glycine 0 CA--C 1.524 0.632 0 N-CA-C 111.084 -0.806 . . . . 0.0 111.084 179.623 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 113' ' ' PHE . . . . . . . . . . . . . 47.3 p90 -76.99 167.34 21.99 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.759 0.314 . . . . 0.0 111.201 9.617 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 114' ' ' ILE . . . . . 0.451 HG13 ' HB3' ' B' ' 107' ' ' ARG . 37.8 pt -128.78 177.34 6.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.204 -176.66 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 115' ' ' SER . . . . . 0.439 ' O ' ' HA ' ' A' ' 118' ' ' PHE . 47.8 t -138.39 110.12 7.12 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.103 171.983 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 116' ' ' ARG . . . . . 0.411 ' O ' ' HA ' ' B' ' 103' ' ' LYS . 59.4 ttp180 -106.02 88.41 2.8 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.175 -170.369 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 117' ' ' GLU . . . . . . . . . . . . . 81.8 tt0 -105.81 114.79 29.15 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.254 -177.048 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 118' ' ' PHE . . . . . 0.443 ' HA ' ' O ' ' A' ' 115' ' ' SER . 27.9 p90 -121.44 161.45 22.19 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.299 -172.131 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 119' ' ' HIS . . . . . 0.417 ' HB2' ' HB3' ' A' ' 115' ' ' SER . 13.2 m80 -131.53 66.07 1.55 Allowed 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.173 178.277 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 120' ' ' ARG . . . . . 0.402 ' HB2' ' HB ' ' B' ' 100' ' ' VAL . 98.9 mtt180 -75.86 96.3 3.67 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.211 -161.961 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 121' ' ' LYS . . . . . . . . . . . . . 98.3 mttt -86.43 76.9 9.56 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.173 -171.639 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 122' ' ' TYR . . . . . . . . . . . . . 97.7 m-85 -64.55 109.91 2.14 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.168 -178.232 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 123' ' ' ARG . . . . . 0.582 ' HA ' ' HA ' ' B' ' 97' ' ' VAL . 56.3 ttt180 -76.75 129.81 36.82 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.169 -166.675 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 124' ' ' ILE . . . . . . . . . . . . . 76.5 mt -82.13 122.83 79.84 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.108 -173.013 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 125' ' ' PRO . . . . . . . . . . . . . 86.5 Cg_exo -49.8 140.54 30.11 Favored 'Trans proline' 0 N--CA 1.458 -0.57 0 C-N-CA 121.581 1.521 . . . . 0.0 111.219 172.826 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 126' ' ' ALA . . . . . . . . . . . . . . . -59.51 -15.93 21.13 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.092 -0.504 . . . . 0.0 111.162 -176.763 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 127' ' ' ASP . . . . . . . . . . . . . 85.0 m-20 -94.94 9.13 40.48 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.354 -177.545 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 128' ' ' VAL . . . . . . . . . . . . . 96.9 t -123.33 133.37 69.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.134 -175.872 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 129' ' ' ASP . . . . . . . . . . . . . 65.4 t0 -87.61 118.9 70.39 Favored Pre-proline 0 C--N 1.328 -0.338 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.106 -179.281 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 130' ' ' PRO . . . . . . . . . . . . . 88.7 Cg_exo -52.71 -32.36 54.82 Favored 'Trans proline' 0 N--CA 1.458 -0.569 0 C-N-CA 121.698 1.598 . . . . 0.0 111.215 -179.345 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 131' ' ' LEU . . . . . . . . . . . . . 95.6 mt -72.28 -20.99 61.42 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.164 -171.84 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 132' ' ' THR . . . . . . . . . . . . . 57.9 p -88.56 -2.43 58.59 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.264 -177.909 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 133' ' ' ILE . . . . . . . . . . . . . 88.9 mt -95.76 120.07 44.66 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.166 -173.902 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 134' ' ' THR . . . . . . . . . . . . . 88.4 m -132.89 136.6 46.28 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.229 179.816 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 135' ' ' SER . . . . . 0.419 ' HA ' ' HA ' ' B' ' 145' ' ' VAL . 83.8 p -81.69 157.44 24.61 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.101 -177.302 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 136' ' ' SER . . . . . . . . . . . . . 44.5 t -150.73 139.39 20.67 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.231 172.233 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 137' ' ' LEU . . . . . . . . . . . . . 7.8 tt -135.43 139.88 44.48 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.242 -171.47 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 138' ' ' SER . . . . . . . . . . . . . 27.0 p -107.12 174.32 5.94 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.134 -176.32 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 139' ' ' SER . . . . . . . . . . . . . 86.1 p -67.75 -19.28 65.1 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.143 178.517 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 140' ' ' ASP . . . . . . . . . . . . . 88.5 m-20 -87.08 -12.97 45.6 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.293 -0.412 . . . . 0.0 111.122 178.348 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 141' ' ' GLY . . . . . . . . . . . . . . . 97.26 20.62 22.48 Favored Glycine 0 CA--C 1.522 0.525 0 N-CA-C 111.247 -0.741 . . . . 0.0 111.247 -179.69 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 142' ' ' VAL . . . . . . . . . . . . . 64.9 t -77.77 88.91 1.04 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-O 120.773 0.32 . . . . 0.0 111.141 179.248 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 143' ' ' LEU . . . . . . . . . . . . . 62.6 tp -96.19 122.92 39.56 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.266 -176.236 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 144' ' ' THR . . . . . . . . . . . . . 89.5 m -130.24 119.63 23.21 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.032 179.319 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 145' ' ' VAL . . . . . 0.419 ' HA ' ' HA ' ' B' ' 135' ' ' SER . 44.1 t -108.11 103.05 14.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.12 179.339 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 146' ' ' ASP . . . . . . . . . . . . . 4.0 p30 -142.96 138.54 30.17 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.108 -158.473 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 147' ' ' GLY . . . . . 0.446 ' HA2' ' HD3' ' B' ' 148' ' ' PRO . . . -146.95 137.91 6.98 Favored Glycine 0 CA--C 1.522 0.511 0 N-CA-C 111.267 -0.733 . . . . 0.0 111.267 174.405 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 148' ' ' PRO . . . . . 0.446 ' HD3' ' HA2' ' B' ' 147' ' ' GLY . 75.6 Cg_exo -57.43 151.65 51.99 Favored 'Trans proline' 0 N--CA 1.458 -0.609 0 C-N-CA 121.72 1.613 . . . . 0.0 111.248 -179.859 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 149' ' ' ARG . . . . . . . . . . . . . 74.7 ttt180 . . . . . 0 C--N 1.329 -0.316 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.135 175.327 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 88.7 tt0 . . . . . 0 C--O 1.232 0.137 0 CA-C-O 120.703 0.287 . . . . 0.0 111.193 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 68' ' ' MET . . . . . . . . . . . . . 62.0 ttp -74.34 122.23 22.6 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.227 179.391 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 78.9 ttt180 -144.87 148.78 34.33 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.259 -172.27 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 81.7 mt -78.7 138.72 38.4 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.15 173.77 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 71' ' ' GLU . . . . . 0.431 ' HB2' ' HB2' ' A' ' 74' ' ' ARG . 68.4 mm-40 -67.13 -175.61 0.46 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.284 165.276 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 87.9 tttt -39.96 -49.19 2.46 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.289 -0.414 . . . . 0.0 111.214 178.229 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 55.4 p-10 -149.93 36.38 0.69 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.207 174.321 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 74' ' ' ARG . . . . . 0.431 ' HB2' ' HB2' ' A' ' 71' ' ' GLU . 87.6 mtm180 -141.05 174.35 10.6 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.264 -179.81 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 75' ' ' PHE . . . . . 0.429 ' HB3' ' O ' ' A' ' 147' ' ' GLY . 32.1 t80 -122.38 131.62 53.98 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.202 -178.97 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 96.7 p -142.57 164.31 30.47 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.315 -0.402 . . . . 0.0 111.322 174.738 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 77' ' ' VAL . . . . . 0.734 ' O ' HG13 ' A' ' 77' ' ' VAL . 9.8 p -155.71 108.53 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.419 0 CA-C-N 116.33 -0.396 . . . . 0.0 111.234 178.205 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 74.2 m-80 -92.36 117.6 30.08 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.149 -178.843 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 81.8 mt -118.11 150.8 38.74 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.197 -171.401 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 65.7 t0 -86.67 112.73 21.91 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.255 -0.429 . . . . 0.0 111.172 177.138 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 27.0 m -136.25 22.35 0.9 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.291 -177.327 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 88.8 tttt -68.54 -41.7 79.48 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.176 -174.191 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 17.9 p-80 -79.11 -12.96 60.01 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.179 -175.978 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 84' ' ' PHE . . . . . . . . . . . . . 21.5 m-30 -72.61 152.92 41.51 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.251 -0.432 . . . . 0.0 111.264 177.12 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 85' ' ' SER . . . . . 0.445 ' O ' ' N ' ' A' ' 89' ' ' LEU . 72.6 m -100.36 147.81 34.06 Favored Pre-proline 0 C--N 1.328 -0.329 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.273 172.219 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 71.3 Cg_exo -54.22 -32.8 72.48 Favored 'Trans proline' 0 N--CA 1.458 -0.575 0 C-N-CA 121.766 1.644 . . . . 0.0 111.129 177.544 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 99.0 mt-10 -83.24 -19.39 36.5 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.309 -0.405 . . . . 0.0 111.194 -178.816 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 94.8 mt-10 -104.83 -11.49 16.75 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.333 -0.394 . . . . 0.0 111.226 -179.865 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 89' ' ' LEU . . . . . 0.445 ' N ' ' O ' ' A' ' 85' ' ' SER . 46.7 tp -97.29 113.35 24.96 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.292 -175.118 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 97.5 mttt -112.31 147.09 37.05 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.19 174.376 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 91' ' ' VAL . . . . . 0.499 ' O ' HG13 ' A' ' 91' ' ' VAL . 6.8 p -131.1 114.68 27.28 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.383 0 CA-C-N 116.067 -0.515 . . . . 0.0 111.199 173.752 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 99.4 mttt -132.65 169.58 16.45 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.234 -172.816 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 34.1 m -124.8 161.54 28.26 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.211 168.153 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 94' ' ' LEU . . . . . 0.415 ' HB3' ' HB ' ' A' ' 97' ' ' VAL . 46.7 tp -141.58 82.82 1.83 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.258 177.269 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 79.52 -105.65 2.31 Favored Glycine 0 CA--C 1.523 0.536 0 N-CA-C 111.206 -0.758 . . . . 0.0 111.206 -176.656 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 79.6 m-20 -90.4 -14.26 33.3 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.849 0.357 . . . . 0.0 111.203 169.665 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 97' ' ' VAL . . . . . 0.557 ' HA ' ' HA ' ' A' ' 123' ' ' ARG . 61.7 t -79.43 145.39 9.43 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.284 -173.757 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 98' ' ' ILE . . . . . . . . . . . . . 76.0 mt -110.03 82.79 0.64 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.377 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.252 168.194 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 84.8 tt0 -77.92 92.52 4.29 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.239 -177.322 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 100' ' ' VAL . . . . . 0.549 ' HB ' ' HB2' ' A' ' 120' ' ' ARG . 59.7 t -79.22 95.06 1.91 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.179 173.736 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 101' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -89.53 68.69 7.81 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.199 -170.314 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . -85.08 167.41 41.68 Favored Glycine 0 CA--C 1.523 0.582 0 N-CA-C 111.205 -0.758 . . . . 0.0 111.205 179.111 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 103' ' ' LYS . . . . . 0.416 ' CB ' ' HA ' ' A' ' 117' ' ' GLU . 61.4 pttt -167.3 148.04 5.53 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.764 0.316 . . . . 0.0 111.157 169.963 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 104' ' ' HIS . . . . . . . . . . . . . 23.8 t-160 -123.0 108.89 13.43 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.205 168.98 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 88.6 mt-10 -93.95 162.73 13.78 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.233 -179.992 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 94.9 mt-10 48.19 57.48 6.09 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.219 -175.428 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 107' ' ' ARG . . . . . 0.421 ' HD3' HD11 ' A' ' 114' ' ' ILE . 72.8 ttt-85 -104.63 92.0 4.1 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.195 -168.506 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 108' ' ' GLN . . . . . . . . . . . . . 68.4 tp60 -41.05 118.98 1.08 Allowed 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.201 176.966 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 6.2 t0 -116.95 -169.98 1.75 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.105 179.369 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 78.6 mm-40 -83.28 -15.95 48.16 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.151 177.932 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 111' ' ' HIS . . . . . 0.426 ' HB2' ' CZ ' ' B' ' 122' ' ' TYR . 99.0 m-70 -105.55 -16.09 14.81 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.218 179.779 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 167.09 -108.51 0.31 Allowed Glycine 0 CA--C 1.524 0.602 0 N-CA-C 111.189 -0.764 . . . . 0.0 111.189 179.576 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 113' ' ' PHE . . . . . . . . . . . . . 35.5 p90 -150.22 158.03 43.72 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.809 0.338 . . . . 0.0 111.187 159.497 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 114' ' ' ILE . . . . . 0.421 HD11 ' HD3' ' A' ' 107' ' ' ARG . 44.8 pt -129.27 165.3 29.53 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.297 -171.795 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 115' ' ' SER . . . . . 0.519 ' HB3' ' HB2' ' B' ' 119' ' ' HIS . 12.7 t -123.22 115.44 21.74 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.226 164.345 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 116' ' ' ARG . . . . . . . . . . . . . 44.3 ttp180 -119.27 102.49 8.73 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.213 -166.544 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 117' ' ' GLU . . . . . 0.416 ' HA ' ' CB ' ' A' ' 103' ' ' LYS . 86.8 tt0 -105.66 129.29 53.92 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.174 -171.298 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 118' ' ' PHE . . . . . 0.408 ' HB3' ' HG3' ' A' ' 120' ' ' ARG . 68.1 m-85 -108.84 151.78 25.78 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.226 -172.46 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 119' ' ' HIS . . . . . 0.507 ' HB2' ' HB3' ' B' ' 115' ' ' SER . 26.6 m80 -133.09 70.35 1.47 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.158 162.628 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 120' ' ' ARG . . . . . 0.549 ' HB2' ' HB ' ' A' ' 100' ' ' VAL . 99.3 mtt180 -74.58 81.08 1.99 Allowed 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.11 -0.495 . . . . 0.0 111.266 -161.283 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 121' ' ' LYS . . . . . . . . . . . . . 95.1 mttt -75.65 84.61 2.67 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.079 -0.51 . . . . 0.0 111.273 -177.574 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 122' ' ' TYR . . . . . 0.449 ' CZ ' ' HB3' ' A' ' 120' ' ' ARG . 16.2 m-85 -97.97 107.33 19.79 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.275 176.595 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 123' ' ' ARG . . . . . 0.557 ' HA ' ' HA ' ' A' ' 97' ' ' VAL . 59.6 ttt180 -88.11 143.11 27.25 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.123 -161.032 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 124' ' ' ILE . . . . . . . . . . . . . 78.7 mt -73.78 125.01 90.73 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.183 -170.583 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 125' ' ' PRO . . . . . . . . . . . . . 84.3 Cg_exo -50.01 140.83 31.17 Favored 'Trans proline' 0 C--N 1.328 -0.522 0 C-N-CA 121.741 1.627 . . . . 0.0 111.093 174.27 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . -58.0 -21.51 45.2 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.174 -171.676 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 127' ' ' ASP . . . . . . . . . . . . . 93.2 m-20 -100.64 25.91 7.32 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.221 -176.569 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 128' ' ' VAL . . . . . 0.444 ' HA ' ' HA ' ' A' ' 149' ' ' ARG . 98.8 t -129.26 134.84 63.12 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.368 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.115 178.901 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 64.0 t0 -87.4 115.92 64.4 Favored Pre-proline 0 C--N 1.328 -0.333 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.238 -175.697 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 130' ' ' PRO . . . . . . . . . . . . . 79.8 Cg_exo -55.33 -33.27 84.63 Favored 'Trans proline' 0 N--CA 1.458 -0.611 0 C-N-CA 121.75 1.634 . . . . 0.0 111.173 -177.015 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 131' ' ' LEU . . . . . . . . . . . . . 97.9 mt -85.66 4.98 34.0 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.22 -168.379 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 132' ' ' THR . . . . . . . . . . . . . 73.1 p -115.33 4.17 14.36 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.177 178.162 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 133' ' ' ILE . . . . . . . . . . . . . 95.5 mt -94.04 126.19 46.5 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.152 -175.396 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 134' ' ' THR . . . . . . . . . . . . . 93.6 m -128.05 130.72 48.71 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.237 179.152 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 135' ' ' SER . . . . . 0.443 ' HA ' ' HA ' ' A' ' 145' ' ' VAL . 85.8 p -83.1 154.54 24.3 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.13 -179.532 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 136' ' ' SER . . . . . . . . . . . . . 43.8 t -146.9 132.49 18.77 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.145 176.486 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 137' ' ' LEU . . . . . . . . . . . . . 63.5 tp -108.47 126.26 52.71 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.157 -178.867 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 138' ' ' SER . . . . . . . . . . . . . 65.1 p -92.96 165.1 13.03 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.118 -178.797 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 139' ' ' SER . . . . . . . . . . . . . 87.5 p -73.79 -14.38 61.1 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.136 -0.483 . . . . 0.0 111.236 177.058 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 140' ' ' ASP . . . . . . . . . . . . . 92.9 m-20 -85.75 -5.07 59.3 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.184 178.037 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 141' ' ' GLY . . . . . . . . . . . . . . . 84.42 39.73 8.85 Favored Glycine 0 CA--C 1.523 0.555 0 N-CA-C 111.128 -0.789 . . . . 0.0 111.128 179.216 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 142' ' ' VAL . . . . . . . . . . . . . 78.6 t -116.23 121.28 67.18 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-O 120.785 0.326 . . . . 0.0 111.206 175.446 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 143' ' ' LEU . . . . . . . . . . . . . 61.5 tp -97.31 124.99 41.61 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.23 177.587 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 144' ' ' THR . . . . . . . . . . . . . 88.9 m -120.54 107.38 12.78 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.176 -177.557 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 145' ' ' VAL . . . . . 0.443 ' HA ' ' HA ' ' A' ' 135' ' ' SER . 46.8 t -103.25 99.65 8.83 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.166 -179.317 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 146' ' ' ASP . . . . . 0.549 ' C ' ' OD1' ' A' ' 146' ' ' ASP . 9.8 t0 -137.22 115.44 11.72 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.139 -155.877 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 147' ' ' GLY . . . . . 0.429 ' O ' ' HB3' ' A' ' 75' ' ' PHE . . . -131.85 156.79 22.1 Favored Glycine 0 CA--C 1.523 0.561 0 N-CA-C 111.182 -0.767 . . . . 0.0 111.182 168.448 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 148' ' ' PRO . . . . . . . . . . . . . 58.0 Cg_endo -70.06 163.37 38.75 Favored 'Trans proline' 0 N--CA 1.456 -0.677 0 C-N-CA 121.72 1.614 . . . . 0.0 111.259 -179.864 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 149' ' ' ARG . . . . . 0.444 ' HA ' ' HA ' ' A' ' 128' ' ' VAL . 82.1 mtp180 . . . . . 0 C--N 1.33 -0.277 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.13 -177.12 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 67' ' ' GLU . . . . . . . . . . . . . 88.7 tt0 . . . . . 0 C--O 1.23 0.058 0 CA-C-O 120.827 0.346 . . . . 0.0 111.083 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' B' B ' 68' ' ' MET . . . . . . . . . . . . . 62.1 ttp -74.4 122.29 22.75 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.129 179.414 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 69' ' ' ARG . . . . . . . . . . . . . 78.9 ttt180 -145.05 148.7 33.99 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.22 -172.204 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 70' ' ' LEU . . . . . . . . . . . . . 82.0 mt -78.74 138.71 38.37 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.275 173.769 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 71' ' ' GLU . . . . . 0.442 ' HB2' ' HB2' ' B' ' 74' ' ' ARG . 68.5 mm-40 -67.11 -175.6 0.46 Allowed 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.3 165.373 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 72' ' ' LYS . . . . . . . . . . . . . 87.9 tttt -39.91 -49.28 2.43 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.264 178.249 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 73' ' ' ASP . . . . . . . . . . . . . 55.4 p-10 -149.76 36.34 0.71 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.216 174.239 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 74' ' ' ARG . . . . . 0.442 ' HB2' ' HB2' ' B' ' 71' ' ' GLU . 87.5 mtm180 -140.89 174.31 10.64 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.256 -179.709 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 75' ' ' PHE . . . . . 0.434 ' HB3' ' O ' ' B' ' 147' ' ' GLY . 32.8 t80 -122.45 131.67 53.98 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.206 -179.126 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 76' ' ' SER . . . . . . . . . . . . . 95.2 p -142.59 164.29 30.51 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.296 174.717 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 77' ' ' VAL . . . . . 0.712 ' O ' HG13 ' B' ' 77' ' ' VAL . 9.7 p -155.69 108.58 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.221 178.178 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 78' ' ' ASN . . . . . . . . . . . . . 74.3 m-80 -92.45 117.67 30.17 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.19 -178.895 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 79' ' ' LEU . . . . . . . . . . . . . 82.7 mt -118.07 150.85 38.63 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.157 -171.42 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 80' ' ' ASP . . . . . . . . . . . . . 65.7 t0 -86.67 112.72 21.91 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.145 177.09 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 81' ' ' VAL . . . . . . . . . . . . . 27.2 m -136.3 22.44 0.89 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.362 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.274 -177.372 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 82' ' ' LYS . . . . . . . . . . . . . 88.8 tttt -68.55 -41.71 79.44 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.094 -0.503 . . . . 0.0 111.221 -174.223 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 83' ' ' HIS . . . . . . . . . . . . . 17.9 p-80 -79.08 -12.95 60.02 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.198 -176.065 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 84' ' ' PHE . . . . . . . . . . . . . 21.4 m-30 -72.71 153.15 41.3 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.188 177.181 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 85' ' ' SER . . . . . 0.429 ' O ' ' N ' ' B' ' 89' ' ' LEU . 72.4 m -100.45 147.86 34.16 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.167 172.319 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 86' ' ' PRO . . . . . . . . . . . . . 71.0 Cg_exo -54.32 -32.75 73.24 Favored 'Trans proline' 0 N--CA 1.459 -0.535 0 C-N-CA 121.644 1.563 . . . . 0.0 111.166 177.5 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 87' ' ' GLU . . . . . . . . . . . . . 99.0 mt-10 -83.32 -19.13 36.77 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.224 -178.825 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 88' ' ' GLU . . . . . . . . . . . . . 94.9 mt-10 -105.12 -11.49 16.56 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.289 -0.414 . . . . 0.0 111.055 -179.696 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 89' ' ' LEU . . . . . 0.429 ' N ' ' O ' ' B' ' 85' ' ' SER . 47.1 tp -97.23 113.25 24.84 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.327 -175.171 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 90' ' ' LYS . . . . . . . . . . . . . 97.5 mttt -112.42 147.05 37.29 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.322 -0.399 . . . . 0.0 111.261 174.337 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 91' ' ' VAL . . . . . 0.491 ' O ' HG13 ' B' ' 91' ' ' VAL . 6.7 p -131.02 114.65 27.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.307 173.803 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 92' ' ' LYS . . . . . . . . . . . . . 99.3 mttt -132.63 169.58 16.43 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.318 -0.401 . . . . 0.0 111.204 -172.725 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 93' ' ' VAL . . . . . . . . . . . . . 34.1 m -124.69 161.58 27.95 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.188 168.146 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 94' ' ' LEU . . . . . 0.429 ' HB3' ' HB ' ' B' ' 97' ' ' VAL . 47.3 tp -141.54 82.82 1.83 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.064 -0.516 . . . . 0.0 111.115 177.294 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 95' ' ' GLY . . . . . . . . . . . . . . . 79.51 -105.7 2.32 Favored Glycine 0 CA--C 1.522 0.519 0 N-CA-C 111.264 -0.734 . . . . 0.0 111.264 -176.593 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 96' ' ' ASP . . . . . . . . . . . . . 79.7 m-20 -90.42 -14.38 33.03 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.695 0.283 . . . . 0.0 111.123 169.697 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 97' ' ' VAL . . . . . 0.557 ' HA ' ' HA ' ' B' ' 123' ' ' ARG . 61.9 t -79.42 145.43 9.38 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.239 -173.725 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 98' ' ' ILE . . . . . . . . . . . . . 76.9 mt -110.1 83.11 0.65 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.148 168.14 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 99' ' ' GLU . . . . . . . . . . . . . 84.6 tt0 -77.98 92.31 4.31 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.245 -177.411 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 100' ' ' VAL . . . . . 0.574 ' HB ' ' HB2' ' B' ' 120' ' ' ARG . 59.7 t -79.12 95.03 1.87 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.241 173.708 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 101' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -89.52 68.74 7.84 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.149 -170.297 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 102' ' ' GLY . . . . . . . . . . . . . . . -85.23 167.47 41.47 Favored Glycine 0 CA--C 1.525 0.671 0 N-CA-C 111.092 -0.803 . . . . 0.0 111.092 179.188 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 103' ' ' LYS . . . . . 0.422 ' CB ' ' HA ' ' B' ' 117' ' ' GLU . 61.5 pttt -167.4 147.92 5.41 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.787 0.327 . . . . 0.0 111.195 170.003 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 104' ' ' HIS . . . . . . . . . . . . . 23.8 t-160 -122.9 108.85 13.44 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.279 168.916 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 105' ' ' GLU . . . . . . . . . . . . . 88.4 mt-10 -93.92 162.69 13.8 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.185 -179.977 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 106' ' ' GLU . . . . . . . . . . . . . 94.8 mt-10 48.28 57.44 6.17 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.234 -175.429 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 107' ' ' ARG . . . . . 0.437 ' HD3' HD11 ' B' ' 114' ' ' ILE . 72.8 ttt-85 -104.62 91.94 4.08 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.245 -168.484 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 108' ' ' GLN . . . . . . . . . . . . . 68.5 tp60 -40.91 118.94 1.05 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.287 -0.415 . . . . 0.0 111.137 176.997 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 109' ' ' ASP . . . . . . . . . . . . . 6.1 t0 -116.91 -170.01 1.75 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.168 179.216 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 110' ' ' GLU . . . . . . . . . . . . . 78.5 mm-40 -83.17 -15.97 48.49 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.359 -0.382 . . . . 0.0 111.315 177.81 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 111' ' ' HIS . . . . . 0.425 ' HB2' ' CZ ' ' A' ' 122' ' ' TYR . 99.1 m-70 -105.57 -16.06 14.81 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.2 179.741 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 112' ' ' GLY . . . . . . . . . . . . . . . 167.13 -108.53 0.31 Allowed Glycine 0 CA--C 1.523 0.553 0 N-CA-C 111.182 -0.767 . . . . 0.0 111.182 179.553 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 113' ' ' PHE . . . . . . . . . . . . . 35.5 p90 -150.2 158.13 43.83 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.829 0.347 . . . . 0.0 111.184 159.428 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 114' ' ' ILE . . . . . 0.437 HD11 ' HD3' ' B' ' 107' ' ' ARG . 44.8 pt -129.35 165.19 29.9 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.196 -171.686 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 115' ' ' SER . . . . . 0.507 ' HB3' ' HB2' ' A' ' 119' ' ' HIS . 12.8 t -123.16 115.51 21.9 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.182 164.262 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 116' ' ' ARG . . . . . . . . . . . . . 44.3 ttp180 -119.28 102.47 8.72 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.186 -166.562 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 117' ' ' GLU . . . . . 0.422 ' HA ' ' CB ' ' B' ' 103' ' ' LYS . 86.8 tt0 -105.62 129.26 53.9 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.189 -171.307 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 118' ' ' PHE . . . . . 0.425 ' HB3' ' HG3' ' B' ' 120' ' ' ARG . 67.5 m-85 -108.85 151.77 25.8 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.302 -0.408 . . . . 0.0 111.266 -172.502 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 119' ' ' HIS . . . . . 0.519 ' HB2' ' HB3' ' A' ' 115' ' ' SER . 26.4 m80 -133.0 70.22 1.47 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.138 162.703 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 120' ' ' ARG . . . . . 0.574 ' HB2' ' HB ' ' B' ' 100' ' ' VAL . 99.3 mtt180 -74.56 81.06 1.98 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.198 -161.147 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 121' ' ' LYS . . . . . . . . . . . . . 95.0 mttt -75.79 84.7 2.76 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.166 -177.471 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 122' ' ' TYR . . . . . 0.438 ' CZ ' ' HB3' ' B' ' 120' ' ' ARG . 16.1 m-85 -97.99 107.38 19.84 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.292 176.524 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 123' ' ' ARG . . . . . 0.557 ' HA ' ' HA ' ' B' ' 97' ' ' VAL . 59.5 ttt180 -88.25 143.24 27.15 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.217 -160.998 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 124' ' ' ILE . . . . . . . . . . . . . 78.8 mt -73.85 125.03 90.66 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.177 -170.419 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 125' ' ' PRO . . . . . . . . . . . . . 86.1 Cg_exo -49.9 140.88 30.15 Favored 'Trans proline' 0 N--CA 1.459 -0.554 0 C-N-CA 121.688 1.592 . . . . 0.0 111.134 174.182 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 126' ' ' ALA . . . . . . . . . . . . . . . -58.1 -21.34 45.86 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.267 -171.739 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 127' ' ' ASP . . . . . . . . . . . . . 93.6 m-20 -100.72 25.78 7.52 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.18 -176.538 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 128' ' ' VAL . . . . . 0.445 ' HA ' ' HA ' ' B' ' 149' ' ' ARG . 98.2 t -129.24 134.87 63.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.219 178.791 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 129' ' ' ASP . . . . . . . . . . . . . 64.1 t0 -87.34 115.96 64.51 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.191 -175.571 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 130' ' ' PRO . . . . . . . . . . . . . 80.2 Cg_exo -55.36 -33.2 84.57 Favored 'Trans proline' 0 N--CA 1.458 -0.616 0 C-N-CA 121.697 1.598 . . . . 0.0 111.224 -177.089 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 131' ' ' LEU . . . . . . . . . . . . . 97.8 mt -85.67 4.96 34.13 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.181 -168.404 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 132' ' ' THR . . . . . . . . . . . . . 76.1 p -115.32 4.24 14.38 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.275 -0.42 . . . . 0.0 111.209 178.093 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 133' ' ' ILE . . . . . 0.404 ' HA ' ' HA3' ' B' ' 147' ' ' GLY . 95.2 mt -94.11 126.16 46.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.185 -175.462 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 134' ' ' THR . . . . . . . . . . . . . 93.3 m -127.98 130.73 48.85 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.261 179.081 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 135' ' ' SER . . . . . 0.442 ' HA ' ' HA ' ' B' ' 145' ' ' VAL . 85.5 p -83.07 154.58 24.32 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.008 -0.542 . . . . 0.0 111.175 -179.583 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 136' ' ' SER . . . . . . . . . . . . . 43.7 t -146.89 132.39 18.68 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.269 176.451 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 137' ' ' LEU . . . . . . . . . . . . . 63.6 tp -108.42 126.15 52.56 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.332 -0.394 . . . . 0.0 111.155 -178.778 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 138' ' ' SER . . . . . . . . . . . . . 63.5 p -92.89 165.26 12.98 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.166 -178.819 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 139' ' ' SER . . . . . . . . . . . . . 88.1 p -73.96 -14.33 61.02 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.033 -0.53 . . . . 0.0 111.115 177.184 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 140' ' ' ASP . . . . . . . . . . . . . 92.8 m-20 -85.84 -5.01 59.31 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.233 178.063 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 141' ' ' GLY . . . . . . . . . . . . . . . 84.31 39.72 8.94 Favored Glycine 0 CA--C 1.523 0.557 0 N-CA-C 111.171 -0.772 . . . . 0.0 111.171 179.139 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 142' ' ' VAL . . . . . . . . . . . . . 79.7 t -116.1 121.25 67.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-O 120.79 0.329 . . . . 0.0 111.197 175.437 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 143' ' ' LEU . . . . . . . . . . . . . 61.6 tp -97.27 125.05 41.58 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.189 177.539 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 144' ' ' THR . . . . . . . . . . . . . 89.0 m -120.47 107.18 12.57 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.239 -177.589 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 145' ' ' VAL . . . . . 0.442 ' HA ' ' HA ' ' B' ' 135' ' ' SER . 46.4 t -103.11 99.74 9.0 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.213 -179.335 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 146' ' ' ASP . . . . . 0.543 ' OD1' ' C ' ' B' ' 146' ' ' ASP . 9.7 t0 -137.4 115.47 11.62 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.293 -0.412 . . . . 0.0 111.141 -155.795 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 147' ' ' GLY . . . . . 0.434 ' O ' ' HB3' ' B' ' 75' ' ' PHE . . . -131.97 156.84 22.15 Favored Glycine 0 CA--C 1.524 0.639 0 N-CA-C 111.158 -0.777 . . . . 0.0 111.158 168.548 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 148' ' ' PRO . . . . . . . . . . . . . 57.7 Cg_endo -70.18 163.24 39.34 Favored 'Trans proline' 0 N--CA 1.458 -0.595 0 C-N-CA 121.655 1.57 . . . . 0.0 111.245 -179.808 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 149' ' ' ARG . . . . . 0.445 ' HA ' ' HA ' ' B' ' 128' ' ' VAL . 82.0 mtp180 . . . . . 0 C--N 1.331 -0.225 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.229 -177.133 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 97.0 mt-10 . . . . . 0 C--O 1.231 0.113 0 CA-C-O 120.788 0.328 . . . . 0.0 111.146 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 68' ' ' MET . . . . . . . . . . . . . 75.0 mtm -106.52 118.81 37.64 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.145 177.794 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 79.2 ttt180 -84.19 107.18 16.36 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.172 179.473 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 57.8 tp -106.93 97.17 6.98 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.231 175.36 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 71' ' ' GLU . . . . . 0.514 ' O ' ' C ' ' A' ' 72' ' ' LYS . 77.1 mm-40 -73.45 163.42 28.07 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.187 172.1 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 72' ' ' LYS . . . . . 0.514 ' C ' ' O ' ' A' ' 71' ' ' GLU . 88.1 tttt -28.19 -59.52 0.12 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.207 -179.388 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 52.4 p-10 -133.66 54.69 1.94 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.189 -179.044 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 80.3 ttt180 -161.51 125.85 3.39 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.117 171.876 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 75' ' ' PHE . . . . . . . . . . . . . 80.5 t80 -104.01 117.14 33.58 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.265 -177.889 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 33.5 t -127.22 141.1 51.82 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.19 -175.443 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 87.2 t -112.44 120.67 63.18 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.251 175.873 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 87.1 m-20 -90.76 132.47 35.82 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.293 -0.412 . . . . 0.0 111.292 175.455 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 79' ' ' LEU . . . . . 0.404 ' HB2' ' HB3' ' A' ' 143' ' ' LEU . 58.9 mt -134.05 142.65 47.66 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.206 -170.206 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 66.5 t0 -89.68 111.75 22.8 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.285 -0.416 . . . . 0.0 111.202 -175.543 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 81' ' ' VAL . . . . . 0.55 ' O ' HG12 ' A' ' 81' ' ' VAL . 53.0 t -119.37 -5.76 10.9 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.162 176.195 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 82' ' ' LYS . . . . . 0.496 ' C ' ' O ' ' A' ' 81' ' ' VAL . 87.6 tttt -27.47 -59.19 0.1 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.111 175.233 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 96.5 m-70 -82.72 -31.76 28.33 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.156 -175.053 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 84' ' ' PHE . . . . . 0.449 ' HB2' HG13 ' A' ' 81' ' ' VAL . 22.5 m-85 -71.51 151.52 43.84 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.28 -174.985 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 85' ' ' SER . . . . . 0.408 ' O ' ' HG ' ' A' ' 89' ' ' LEU . 70.2 m -99.21 137.71 20.44 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.028 174.594 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 81.9 Cg_exo -53.39 -34.32 70.62 Favored 'Trans proline' 0 N--CA 1.457 -0.618 0 C-N-CA 121.656 1.571 . . . . 0.0 111.178 177.214 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 99.3 mt-10 -78.87 -15.48 58.29 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.229 -0.442 . . . . 0.0 111.145 178.734 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 48.4 mt-10 -99.08 -13.22 19.92 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.106 177.815 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 89' ' ' LEU . . . . . 0.408 ' HG ' ' O ' ' A' ' 85' ' ' SER . 59.5 mt -72.44 132.52 44.01 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.319 -0.401 . . . . 0.0 111.196 178.148 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 98.7 mttt -122.18 45.55 2.32 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.154 170.662 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 90.1 t -66.37 120.35 13.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.139 -173.589 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 97.2 mttt -140.9 172.72 12.29 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.132 -168.913 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 33.4 m -123.71 164.99 20.81 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.063 -0.517 . . . . 0.0 111.213 167.567 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 94' ' ' LEU . . . . . 0.403 ' HB3' ' CG2' ' A' ' 97' ' ' VAL . 27.1 tp -144.45 71.21 1.3 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.22 177.646 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 82.74 -104.17 2.51 Favored Glycine 0 CA--C 1.523 0.58 0 N-CA-C 111.176 -0.769 . . . . 0.0 111.176 -179.378 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 48.6 p-10 -102.82 23.35 12.27 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 120.734 0.302 . . . . 0.0 111.164 -177.523 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 97' ' ' VAL . . . . . 0.415 HG21 ' HD3' ' A' ' 121' ' ' LYS . 27.5 m -134.26 162.77 38.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.276 175.195 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 98' ' ' ILE . . . . . 0.435 ' HB ' ' HB2' ' A' ' 122' ' ' TYR . 62.1 mt -119.4 91.07 1.72 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.4 0 CA-C-N 116.319 -0.401 . . . . 0.0 111.227 175.214 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 87.3 tt0 -71.88 83.38 0.93 Allowed 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.158 -179.011 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 100' ' ' VAL . . . . . . . . . . . . . 62.1 t -75.74 80.48 0.59 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.211 179.618 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 101' ' ' HIS . . . . . . . . . . . . . 64.5 t-80 -87.37 141.88 28.3 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.248 178.962 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 102' ' ' GLY . . . . . 0.418 ' O ' ' HB3' ' A' ' 103' ' ' LYS . . . -157.8 -175.1 28.34 Favored Glycine 0 CA--C 1.523 0.585 0 N-CA-C 111.173 -0.771 . . . . 0.0 111.173 -179.418 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 103' ' ' LYS . . . . . 0.418 ' HB3' ' O ' ' A' ' 102' ' ' GLY . 65.5 pttt -177.17 152.18 0.86 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.831 0.348 . . . . 0.0 111.081 169.295 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 104' ' ' HIS . . . . . . . . . . . . . 8.6 p-80 -120.73 153.02 37.54 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.08 -0.509 . . . . 0.0 111.223 161.729 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 97.3 mt-10 -133.44 150.77 51.75 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.166 179.745 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 81.5 mm-40 45.84 58.18 4.55 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.141 -0.482 . . . . 0.0 111.226 -179.612 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 107' ' ' ARG . . . . . 0.558 ' HB3' HG13 ' A' ' 114' ' ' ILE . 7.7 tpt180 -104.46 82.47 1.92 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.096 -171.355 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 108' ' ' GLN . . . . . . . . . . . . . 70.6 tp60 -59.62 123.45 16.93 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.119 179.98 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 44.3 p30 -133.59 -158.17 0.87 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.212 179.059 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 99.9 mt-10 -69.16 -23.06 63.9 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.295 -0.411 . . . . 0.0 111.21 -176.923 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 111' ' ' HIS . . . . . 0.408 ' HB3' ' CE2' ' B' ' 122' ' ' TYR . 71.0 m80 -129.21 68.19 1.42 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.235 -171.422 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 84.93 -154.32 29.09 Favored Glycine 0 CA--C 1.524 0.61 0 N-CA-C 111.173 -0.771 . . . . 0.0 111.173 -174.704 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 113' ' ' PHE . . . . . 0.401 ' CD1' ' C ' ' A' ' 113' ' ' PHE . 3.0 p90 -121.06 150.22 41.52 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.768 0.318 . . . . 0.0 111.159 162.305 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 114' ' ' ILE . . . . . 0.558 HG13 ' HB3' ' A' ' 107' ' ' ARG . 37.4 pt -119.96 150.87 22.52 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.124 -175.248 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 42.7 t -142.86 108.01 4.97 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.227 174.835 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 116' ' ' ARG . . . . . . . . . . . . . 72.4 mtp180 -130.28 137.91 50.22 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.208 -165.311 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 72.9 mm-40 -85.12 161.74 19.54 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.189 168.536 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 118' ' ' PHE . . . . . . . . . . . . . 29.1 t80 -139.96 141.16 36.45 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.225 -178.676 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 119' ' ' HIS . . . . . 0.4 ' O ' ' CG ' ' A' ' 119' ' ' HIS . 15.7 t-160 -162.53 60.95 0.21 Allowed 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.31 -0.404 . . . . 0.0 111.265 -172.602 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 40.4 ttm180 -89.88 103.67 16.3 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.248 178.824 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 121' ' ' LYS . . . . . 0.415 ' HD3' HG21 ' A' ' 97' ' ' VAL . 41.1 ttmt -96.47 106.89 19.21 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.299 -178.399 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 122' ' ' TYR . . . . . 0.435 ' HB2' ' HB ' ' A' ' 98' ' ' ILE . 37.3 m-85 -76.23 160.79 29.34 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.282 175.814 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 123' ' ' ARG . . . . . . . . . . . . . 11.1 mpt_? -107.11 123.5 48.33 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.124 166.365 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 124' ' ' ILE . . . . . . . . . . . . . 90.7 mt -73.75 125.1 90.68 Favored Pre-proline 0 C--N 1.328 -0.347 0 CA-C-N 116.043 -0.526 . . . . 0.0 111.274 -175.18 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 125' ' ' PRO . . . . . . . . . . . . . 78.7 Cg_exo -52.06 144.14 38.45 Favored 'Trans proline' 0 N--CA 1.457 -0.633 0 C-N-CA 121.768 1.645 . . . . 0.0 111.23 175.009 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . -58.02 -22.88 51.83 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.237 -177.544 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 127' ' ' ASP . . . . . . . . . . . . . 81.1 m-20 -97.67 9.23 43.07 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.196 -176.957 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 128' ' ' VAL . . . . . . . . . . . . . 98.3 t -112.29 122.84 67.3 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.278 170.874 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 60.1 t0 -85.33 122.11 73.72 Favored Pre-proline 0 C--N 1.33 -0.28 0 CA-C-N 116.091 -0.504 . . . . 0.0 111.253 176.794 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 130' ' ' PRO . . . . . 0.433 ' HA ' HD12 ' A' ' 133' ' ' ILE . 74.7 Cg_exo -50.25 -34.22 39.21 Favored 'Trans proline' 0 C--N 1.328 -0.539 0 C-N-CA 121.738 1.625 . . . . 0.0 111.192 -178.71 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 131' ' ' LEU . . . . . . . . . . . . . 95.7 mt -73.79 -22.39 59.84 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.282 -175.526 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 132' ' ' THR . . . . . . . . . . . . . 77.5 p -94.14 2.17 56.0 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.264 -177.264 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 133' ' ' ILE . . . . . 0.433 HD12 ' HA ' ' A' ' 130' ' ' PRO . 93.9 mt -85.11 122.6 38.42 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.262 177.972 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 134' ' ' THR . . . . . . . . . . . . . 60.9 p -109.73 168.35 9.48 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.307 -0.406 . . . . 0.0 111.105 175.989 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 135' ' ' SER . . . . . . . . . . . . . 35.7 t -144.56 135.69 25.19 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.265 -176.711 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 136' ' ' SER . . . . . . . . . . . . . 99.6 p -145.19 150.99 37.71 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.17 177.284 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 137' ' ' LEU . . . . . . . . . . . . . 56.7 tp -133.74 129.27 36.45 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.126 -172.833 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 138' ' ' SER . . . . . . . . . . . . . 60.0 p -88.33 166.65 14.14 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.128 177.931 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 139' ' ' SER . . . . . . . . . . . . . 89.4 p -73.95 -13.16 60.84 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.181 177.308 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 140' ' ' ASP . . . . . . . . . . . . . 92.7 m-20 -84.9 -8.56 58.72 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.062 177.878 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 141' ' ' GLY . . . . . . . . . . . . . . . 89.97 31.16 11.32 Favored Glycine 0 CA--C 1.524 0.607 0 N-CA-C 111.21 -0.756 . . . . 0.0 111.21 -179.772 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 142' ' ' VAL . . . . . . . . . . . . . 66.6 t -99.61 104.87 16.64 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.364 0 CA-C-O 120.802 0.334 . . . . 0.0 111.134 174.488 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 143' ' ' LEU . . . . . 0.404 ' HB3' ' HB2' ' A' ' 79' ' ' LEU . 56.3 tp -102.52 126.71 49.67 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.19 -177.807 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 144' ' ' THR . . . . . . . . . . . . . 93.6 m -122.97 117.38 25.38 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.175 -176.669 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 145' ' ' VAL . . . . . . . . . . . . . 57.4 t -121.03 113.4 39.58 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.101 177.75 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 146' ' ' ASP . . . . . . . . . . . . . 9.9 p-10 -142.75 134.91 27.35 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.233 -159.437 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 147' ' ' GLY . . . . . . . . . . . . . . . -123.97 105.12 0.87 Allowed Glycine 0 CA--C 1.523 0.553 0 N-CA-C 111.262 -0.735 . . . . 0.0 111.262 173.152 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 148' ' ' PRO . . . . . 0.415 ' O ' ' C ' ' A' ' 149' ' ' ARG . 87.5 Cg_exo -66.43 -21.73 53.18 Favored 'Trans proline' 0 N--CA 1.458 -0.6 0 C-N-CA 121.688 1.592 . . . . 0.0 111.251 -162.803 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 149' ' ' ARG . . . . . 0.415 ' C ' ' O ' ' A' ' 148' ' ' PRO . 72.1 ttt180 . . . . . 0 C--N 1.329 -0.298 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.193 -172.197 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 67' ' ' GLU . . . . . . . . . . . . . 97.1 mt-10 . . . . . 0 CA--C 1.524 -0.057 0 CA-C-O 120.849 0.357 . . . . 0.0 111.149 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' B' B ' 68' ' ' MET . . . . . . . . . . . . . 75.0 mtm -106.58 118.74 37.47 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.146 177.897 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 69' ' ' ARG . . . . . . . . . . . . . 79.2 ttt180 -84.16 107.28 16.39 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.178 179.418 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 70' ' ' LEU . . . . . . . . . . . . . 57.6 tp -106.97 97.14 6.95 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.248 175.289 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 71' ' ' GLU . . . . . 0.502 ' O ' ' C ' ' B' ' 72' ' ' LYS . 77.2 mm-40 -73.38 163.51 27.97 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.091 -0.504 . . . . 0.0 111.146 172.08 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 72' ' ' LYS . . . . . 0.502 ' C ' ' O ' ' B' ' 71' ' ' GLU . 88.0 tttt -28.19 -59.64 0.12 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.19 -179.436 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 73' ' ' ASP . . . . . . . . . . . . . 52.3 p-10 -133.61 54.9 1.92 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.266 -0.425 . . . . 0.0 111.136 -179.101 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 74' ' ' ARG . . . . . . . . . . . . . 80.3 ttt180 -161.63 125.74 3.32 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.189 171.847 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 75' ' ' PHE . . . . . . . . . . . . . 80.5 t80 -103.99 117.21 33.75 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.17 -177.741 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 76' ' ' SER . . . . . . . . . . . . . 33.4 t -127.34 141.13 51.78 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.219 -175.513 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 77' ' ' VAL . . . . . . . . . . . . . 87.1 t -112.58 120.77 63.52 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.121 176.021 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 78' ' ' ASN . . . . . . . . . . . . . 87.1 m-20 -90.86 132.53 35.84 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.18 -0.463 . . . . 0.0 111.208 175.547 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 79' ' ' LEU . . . . . 0.404 ' HB2' ' HB3' ' B' ' 143' ' ' LEU . 58.3 mt -134.15 142.55 47.5 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.182 -170.179 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 80' ' ' ASP . . . . . . . . . . . . . 66.6 t0 -89.56 111.78 22.79 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.268 -175.577 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 81' ' ' VAL . . . . . 0.54 HG12 ' O ' ' B' ' 81' ' ' VAL . 54.6 t -119.25 -6.02 11.05 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.291 176.2 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 82' ' ' LYS . . . . . 0.482 ' C ' ' O ' ' B' ' 81' ' ' VAL . 87.6 tttt -27.54 -59.03 0.1 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.148 175.36 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 83' ' ' HIS . . . . . . . . . . . . . 96.6 m-70 -82.72 -31.74 28.33 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.947 0.403 . . . . 0.0 111.279 -175.181 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 84' ' ' PHE . . . . . 0.444 ' HB2' HG13 ' B' ' 81' ' ' VAL . 22.5 m-85 -71.49 151.5 43.87 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.103 -174.95 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 85' ' ' SER . . . . . 0.406 ' O ' ' HG ' ' B' ' 89' ' ' LEU . 69.0 m -99.09 137.68 20.48 Favored Pre-proline 0 C--N 1.331 -0.233 0 CA-C-N 116.121 -0.491 . . . . 0.0 111.262 174.302 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 86' ' ' PRO . . . . . . . . . . . . . 82.1 Cg_exo -53.37 -34.46 71.03 Favored 'Trans proline' 0 N--CA 1.457 -0.652 0 C-N-CA 121.788 1.659 . . . . 0.0 111.063 177.286 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 87' ' ' GLU . . . . . . . . . . . . . 99.2 mt-10 -78.68 -15.53 58.37 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.308 -0.405 . . . . 0.0 111.207 178.664 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 88' ' ' GLU . . . . . . . . . . . . . 48.3 mt-10 -98.99 -13.25 19.99 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.233 177.8 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 89' ' ' LEU . . . . . 0.406 ' HG ' ' O ' ' B' ' 85' ' ' SER . 58.3 mt -72.58 132.48 43.83 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.191 178.165 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 90' ' ' LYS . . . . . . . . . . . . . 98.6 mttt -122.01 45.46 2.33 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.103 -0.499 . . . . 0.0 111.305 170.67 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 91' ' ' VAL . . . . . . . . . . . . . 90.3 t -66.34 120.25 13.11 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.139 -173.464 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 92' ' ' LYS . . . . . . . . . . . . . 97.2 mttt -140.89 172.74 12.26 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.244 -168.965 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 93' ' ' VAL . . . . . . . . . . . . . 33.3 m -123.65 164.97 20.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.278 167.591 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 94' ' ' LEU . . . . . 0.404 ' HB3' ' CG2' ' B' ' 97' ' ' VAL . 27.3 tp -144.45 71.02 1.3 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.181 177.764 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 95' ' ' GLY . . . . . . . . . . . . . . . 82.77 -104.15 2.52 Favored Glycine 0 CA--C 1.523 0.586 0 N-CA-C 111.207 -0.757 . . . . 0.0 111.207 -179.395 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 96' ' ' ASP . . . . . . . . . . . . . 48.7 p-10 -102.78 23.39 12.18 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.776 0.322 . . . . 0.0 111.158 -177.555 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 97' ' ' VAL . . . . . 0.404 ' CG2' ' HB3' ' B' ' 94' ' ' LEU . 27.6 m -134.35 162.84 38.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.333 -0.394 . . . . 0.0 111.187 175.151 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 98' ' ' ILE . . . . . 0.45 ' HB ' ' HB2' ' B' ' 122' ' ' TYR . 62.8 mt -119.55 91.08 1.72 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.131 175.359 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 99' ' ' GLU . . . . . . . . . . . . . 87.3 tt0 -71.86 83.38 0.92 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.103 -179.002 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 100' ' ' VAL . . . . . . . . . . . . . 61.8 t -75.78 80.62 0.6 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.211 179.592 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 101' ' ' HIS . . . . . . . . . . . . . 64.0 t-80 -87.37 141.83 28.34 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.322 178.887 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 102' ' ' GLY . . . . . 0.421 ' O ' ' HB3' ' B' ' 103' ' ' LYS . . . -157.77 -175.04 28.24 Favored Glycine 0 CA--C 1.523 0.583 0 N-CA-C 111.145 -0.782 . . . . 0.0 111.145 -179.423 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 103' ' ' LYS . . . . . 0.421 ' HB3' ' O ' ' B' ' 102' ' ' GLY . 65.4 pttt -177.2 152.23 0.86 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.822 0.344 . . . . 0.0 111.129 169.317 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 104' ' ' HIS . . . . . . . . . . . . . 8.7 p-80 -120.85 153.03 37.67 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.251 161.754 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 105' ' ' GLU . . . . . . . . . . . . . 97.3 mt-10 -133.44 150.83 51.75 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.181 179.781 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 106' ' ' GLU . . . . . . . . . . . . . 81.5 mm-40 45.74 58.21 4.48 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.227 -179.606 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 107' ' ' ARG . . . . . 0.545 ' HB3' HG13 ' B' ' 114' ' ' ILE . 7.7 tpt180 -104.37 82.28 1.91 Allowed 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.182 -171.357 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 108' ' ' GLN . . . . . . . . . . . . . 70.7 tp60 -59.55 123.23 16.2 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.209 -179.968 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 109' ' ' ASP . . . . . . . . . . . . . 44.7 p30 -133.4 -158.2 0.87 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.134 -0.484 . . . . 0.0 111.289 179.05 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 110' ' ' GLU . . . . . . . . . . . . . 99.9 mt-10 -68.96 -23.14 64.1 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.327 -0.397 . . . . 0.0 111.177 -176.931 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 111' ' ' HIS . . . . . . . . . . . . . 71.2 m80 -129.24 68.03 1.42 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.162 -171.217 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 112' ' ' GLY . . . . . . . . . . . . . . . 85.07 -154.31 28.89 Favored Glycine 0 CA--C 1.524 0.649 0 N-CA-C 111.189 -0.765 . . . . 0.0 111.189 -174.755 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 113' ' ' PHE . . . . . . . . . . . . . 3.0 p90 -121.06 150.36 41.3 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 120.863 0.363 . . . . 0.0 111.129 162.156 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 114' ' ' ILE . . . . . 0.545 HG13 ' HB3' ' B' ' 107' ' ' ARG . 37.5 pt -120.05 150.88 22.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.185 -175.323 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 115' ' ' SER . . . . . . . . . . . . . 42.6 t -142.85 107.91 4.95 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.187 174.924 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 116' ' ' ARG . . . . . . . . . . . . . 72.3 mtp180 -130.22 137.92 50.3 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.075 -0.511 . . . . 0.0 111.235 -165.429 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 117' ' ' GLU . . . . . . . . . . . . . 72.9 mm-40 -85.06 161.8 19.57 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.218 168.532 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 118' ' ' PHE . . . . . . . . . . . . . 29.3 t80 -140.06 141.11 36.26 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.229 -0.442 . . . . 0.0 111.211 -178.684 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 119' ' ' HIS . . . . . . . . . . . . . 15.6 t-160 -162.42 61.01 0.22 Allowed 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.197 -172.595 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 120' ' ' ARG . . . . . . . . . . . . . 40.4 ttm180 -89.93 103.61 16.26 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.192 178.884 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 121' ' ' LYS . . . . . 0.404 ' HD3' HG21 ' B' ' 97' ' ' VAL . 41.1 ttmt -96.48 107.02 19.36 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.232 -178.39 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 122' ' ' TYR . . . . . 0.45 ' HB2' ' HB ' ' B' ' 98' ' ' ILE . 37.5 m-85 -76.33 160.78 29.29 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.133 175.827 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 123' ' ' ARG . . . . . . . . . . . . . 11.1 mpt_? -107.06 123.62 48.48 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.133 166.259 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 124' ' ' ILE . . . . . . . . . . . . . 90.8 mt -73.91 125.26 90.42 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-N 116.086 -0.507 . . . . 0.0 111.06 -175.117 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 125' ' ' PRO . . . . . . . . . . . . . 77.9 Cg_exo -52.14 144.25 38.74 Favored 'Trans proline' 0 N--CA 1.458 -0.567 0 C-N-CA 121.778 1.652 . . . . 0.0 111.076 174.893 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 126' ' ' ALA . . . . . . . . . . . . . . . -58.15 -22.85 52.98 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.075 -0.511 . . . . 0.0 111.105 -177.535 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 127' ' ' ASP . . . . . . . . . . . . . 81.1 m-20 -97.58 9.18 43.15 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.292 -0.413 . . . . 0.0 111.223 -176.953 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 128' ' ' VAL . . . . . . . . . . . . . 98.5 t -112.32 122.7 67.06 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.304 170.986 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 129' ' ' ASP . . . . . . . . . . . . . 60.1 t0 -85.26 122.09 73.82 Favored Pre-proline 0 C--N 1.33 -0.275 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.215 176.796 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 130' ' ' PRO . . . . . 0.425 ' HA ' HD12 ' B' ' 133' ' ' ILE . 74.3 Cg_exo -50.3 -34.1 39.27 Favored 'Trans proline' 0 C--N 1.327 -0.573 0 C-N-CA 121.676 1.584 . . . . 0.0 111.147 -178.745 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 131' ' ' LEU . . . . . . . . . . . . . 95.7 mt -73.89 -22.38 59.73 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.249 -175.492 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 132' ' ' THR . . . . . . . . . . . . . 76.8 p -94.16 2.17 55.99 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.175 -177.215 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 133' ' ' ILE . . . . . 0.425 HD12 ' HA ' ' B' ' 130' ' ' PRO . 93.7 mt -85.05 122.45 38.22 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.231 177.974 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 134' ' ' THR . . . . . . . . . . . . . 62.6 p -109.72 168.48 9.38 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.343 -0.39 . . . . 0.0 111.112 175.896 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 135' ' ' SER . . . . . . . . . . . . . 35.2 t -144.6 135.7 25.13 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.191 -176.673 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 136' ' ' SER . . . . . . . . . . . . . 99.6 p -145.07 150.95 37.75 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.242 177.265 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 137' ' ' LEU . . . . . . . . . . . . . 56.7 tp -133.72 129.17 36.35 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.243 -172.889 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 138' ' ' SER . . . . . . . . . . . . . 59.0 p -88.23 166.55 14.27 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.266 177.949 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 139' ' ' SER . . . . . . . . . . . . . 89.0 p -73.78 -13.38 60.94 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.264 -0.426 . . . . 0.0 111.197 177.273 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 140' ' ' ASP . . . . . . . . . . . . . 92.7 m-20 -84.71 -8.58 58.8 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.295 177.822 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 141' ' ' GLY . . . . . . . . . . . . . . . 90.04 31.02 11.4 Favored Glycine 0 CA--C 1.523 0.569 0 N-CA-C 111.227 -0.749 . . . . 0.0 111.227 -179.858 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 142' ' ' VAL . . . . . . . . . . . . . 66.6 t -99.51 104.9 16.66 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-O 120.812 0.339 . . . . 0.0 111.175 174.537 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 143' ' ' LEU . . . . . 0.404 ' HB3' ' HB2' ' B' ' 79' ' ' LEU . 56.3 tp -102.6 126.67 49.76 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.197 -177.731 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 144' ' ' THR . . . . . . . . . . . . . 93.0 m -122.94 117.33 25.28 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.295 -176.721 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 145' ' ' VAL . . . . . . . . . . . . . 57.8 t -121.0 113.4 39.6 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.24 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.168 177.735 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 146' ' ' ASP . . . . . . . . . . . . . 9.9 p-10 -142.63 134.96 27.63 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.178 -159.419 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 147' ' ' GLY . . . . . . . . . . . . . . . -123.94 105.14 0.87 Allowed Glycine 0 CA--C 1.523 0.532 0 N-CA-C 111.253 -0.739 . . . . 0.0 111.253 173.106 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 148' ' ' PRO . . . . . 0.405 ' O ' ' C ' ' B' ' 149' ' ' ARG . 88.1 Cg_exo -66.52 -21.67 52.63 Favored 'Trans proline' 0 N--CA 1.458 -0.615 0 C-N-CA 121.76 1.64 . . . . 0.0 111.227 -162.784 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 149' ' ' ARG . . . . . 0.405 ' C ' ' O ' ' B' ' 148' ' ' PRO . 72.2 ttt180 . . . . . 0 C--N 1.328 -0.327 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.175 -172.215 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 88.4 tt0 . . . . . 0 N--CA 1.456 -0.138 0 CA-C-O 120.777 0.322 . . . . 0.0 111.197 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 68' ' ' MET . . . . . . . . . . . . . 1.9 pmm? -82.81 157.8 23.03 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.084 -0.507 . . . . 0.0 111.214 176.08 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 60.0 ttp180 -127.68 139.79 52.49 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.145 -178.208 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 55.8 mt -99.93 100.78 11.74 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.095 169.717 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 71' ' ' GLU . . . . . 0.548 ' O ' ' C ' ' A' ' 72' ' ' LYS . 95.8 mt-10 -68.38 -176.3 0.74 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.115 174.367 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 72' ' ' LYS . . . . . 0.548 ' C ' ' O ' ' A' ' 71' ' ' GLU . 88.0 tttt -27.15 -60.17 0.09 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.065 -168.516 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 58.7 p30 -142.54 26.78 1.74 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.159 -172.683 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 15.6 ptm180 -146.15 171.29 15.13 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.201 -172.01 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 75' ' ' PHE . . . . . . . . . . . . . 10.5 p90 -119.99 146.96 45.36 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.093 -0.503 . . . . 0.0 111.311 -179.054 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 36.2 t -139.37 121.3 15.57 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.138 179.819 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 96.9 t -99.47 110.62 27.07 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.372 0 CA-C-N 116.309 -0.405 . . . . 0.0 111.129 -174.36 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 77.0 m-20 -92.59 104.94 17.19 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.183 -179.732 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 86.3 mt -97.04 133.51 41.61 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.188 -173.531 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 67.4 t0 -83.55 104.47 13.7 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.235 174.54 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 34.6 m -131.72 3.77 1.81 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.411 0 CA-C-N 116.291 -0.413 . . . . 0.0 111.171 -171.746 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 88.4 tttt -47.32 -48.84 25.08 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.357 -0.383 . . . . 0.0 111.251 177.351 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 20.7 p-80 -77.29 -20.53 54.9 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.174 -174.667 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 84' ' ' PHE . . . . . . . . . . . . . 20.3 m-30 -72.26 145.25 48.04 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.215 178.481 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 85' ' ' SER . . . . . 0.446 ' O ' ' N ' ' A' ' 89' ' ' LEU . 72.3 m -100.29 148.82 35.43 Favored Pre-proline 0 C--N 1.328 -0.336 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.212 175.532 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 71.8 Cg_exo -54.19 -33.21 73.91 Favored 'Trans proline' 0 N--CA 1.458 -0.594 0 C-N-CA 121.674 1.583 . . . . 0.0 111.206 177.429 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 99.1 mt-10 -80.28 -18.17 50.07 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.294 -0.412 . . . . 0.0 111.203 -179.885 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 60.4 mt-10 -104.87 -13.61 15.77 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.248 178.978 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 89' ' ' LEU . . . . . 0.446 ' N ' ' O ' ' A' ' 85' ' ' SER . 58.6 tp -102.85 112.72 25.66 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.228 -169.196 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 98.3 mttt -119.53 81.47 1.73 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.214 178.648 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 86.1 t -90.75 127.57 43.12 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-N 116.311 -0.404 . . . . 0.0 111.069 177.374 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 87.7 tttt -149.67 128.77 12.72 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.168 -171.862 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 74.5 t -72.65 97.47 0.76 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.191 171.864 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 94' ' ' LEU . . . . . 0.473 ' HB3' HG23 ' A' ' 97' ' ' VAL . 59.8 tp -97.34 78.42 2.71 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.083 -0.508 . . . . 0.0 111.238 -162.014 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 70.3 -106.66 1.9 Allowed Glycine 0 CA--C 1.523 0.533 0 N-CA-C 111.282 -0.727 . . . . 0.0 111.282 175.483 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 49.6 p-10 -95.93 2.53 53.61 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.771 0.32 . . . . 0.0 111.196 -177.78 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 97' ' ' VAL . . . . . 0.516 ' HA ' ' HA ' ' A' ' 123' ' ' ARG . 31.9 m -128.7 175.12 10.89 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.079 -0.509 . . . . 0.0 111.203 172.479 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 98' ' ' ILE . . . . . 0.415 ' HB ' ' HB3' ' A' ' 122' ' ' TYR . 72.0 mt -116.97 92.22 2.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.118 174.579 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 83.0 tt0 -62.51 130.66 46.14 Favored 'General case' 0 C--N 1.328 -0.37 0 CA-C-N 116.294 -0.412 . . . . 0.0 111.216 -176.799 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 100' ' ' VAL . . . . . 0.491 ' HB ' ' HB2' ' A' ' 120' ' ' ARG . 28.7 t -119.43 91.77 1.93 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.258 166.563 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 101' ' ' HIS . . . . . . . . . . . . . 57.8 t-80 -103.05 64.75 0.85 Allowed 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.209 -171.842 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 102' ' ' GLY . . . . . 0.401 ' HA2' ' HA ' ' A' ' 89' ' ' LEU . . . -95.14 176.38 34.32 Favored Glycine 0 CA--C 1.523 0.533 0 N-CA-C 111.282 -0.727 . . . . 0.0 111.282 -175.436 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 103' ' ' LYS . . . . . 0.444 ' HB3' ' HA ' ' A' ' 117' ' ' GLU . 64.8 pttt -174.71 155.07 2.09 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.797 0.332 . . . . 0.0 111.124 169.241 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 104' ' ' HIS . . . . . 0.469 ' ND1' ' C ' ' A' ' 104' ' ' HIS . 0.3 OUTLIER -134.36 102.46 5.35 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.074 -0.512 . . . . 0.0 111.187 168.236 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 105' ' ' GLU . . . . . 0.417 ' O ' ' HB2' ' A' ' 106' ' ' GLU . 88.6 tt0 -81.45 144.44 31.38 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.184 179.581 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 106' ' ' GLU . . . . . 0.426 ' HA ' ' CD2' ' A' ' 113' ' ' PHE . 94.2 mt-10 63.27 52.96 2.31 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.18 -173.531 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 107' ' ' ARG . . . . . 0.457 ' HB3' HG13 ' A' ' 114' ' ' ILE . 60.3 ttt-85 -108.64 92.07 3.9 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.296 -0.411 . . . . 0.0 111.195 -174.17 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 108' ' ' GLN . . . . . . . . . . . . . 66.4 tt0 -58.39 120.33 8.57 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.237 177.656 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 53.1 p30 -160.36 -149.79 0.2 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.178 -173.089 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 88.5 tt0 -45.5 -67.36 0.29 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.176 -176.026 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 111' ' ' HIS . . . . . . . . . . . . . 98.0 m-70 -96.76 78.19 2.88 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.203 -175.006 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 112' ' ' GLY . . . . . 0.424 ' HA3' ' HA ' ' B' ' 122' ' ' TYR . . . 69.63 -111.85 4.11 Favored Glycine 0 CA--C 1.524 0.598 0 N-CA-C 111.218 -0.753 . . . . 0.0 111.218 -179.616 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 113' ' ' PHE . . . . . 0.426 ' CD2' ' HA ' ' A' ' 106' ' ' GLU . 46.7 p90 -138.3 153.92 49.02 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.814 0.34 . . . . 0.0 111.154 162.005 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 114' ' ' ILE . . . . . 0.656 ' C ' HD12 ' A' ' 114' ' ' ILE . 2.3 pp -120.69 164.85 16.77 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.16 -167.59 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 46.9 t -138.73 99.19 3.74 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.292 161.858 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 116' ' ' ARG . . . . . . . . . . . . . 89.1 mtm180 -112.83 111.47 22.26 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.238 -167.591 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 117' ' ' GLU . . . . . 0.454 ' HB3' ' HB3' ' B' ' 117' ' ' GLU . 86.3 tt0 -85.57 104.53 15.41 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.344 -0.389 . . . . 0.0 111.189 176.627 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 118' ' ' PHE . . . . . . . . . . . . . 74.4 m-85 -84.18 163.26 19.85 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.214 -173.86 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 119' ' ' HIS . . . . . . . . . . . . . 9.4 t-160 -163.6 62.45 0.17 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.067 178.902 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 120' ' ' ARG . . . . . 0.491 ' HB2' ' HB ' ' A' ' 100' ' ' VAL . 79.8 mtt-85 -84.53 103.2 13.46 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.222 -172.621 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 121' ' ' LYS . . . . . . . . . . . . . 97.2 mttt -85.6 85.6 7.41 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.221 175.393 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 122' ' ' TYR . . . . . 0.443 ' CD1' ' C ' ' A' ' 122' ' ' TYR . 4.7 t80 -81.39 109.86 16.28 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.296 -0.411 . . . . 0.0 111.186 179.382 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 123' ' ' ARG . . . . . 0.516 ' HA ' ' HA ' ' A' ' 97' ' ' VAL . 7.4 ttp180 -77.44 139.76 39.72 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.284 -159.998 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 124' ' ' ILE . . . . . . . . . . . . . 72.4 mt -89.49 133.59 34.28 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.294 -172.626 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 125' ' ' PRO . . . . . . . . . . . . . 75.1 Cg_exo -50.49 147.0 17.99 Favored 'Trans proline' 0 N--CA 1.458 -0.615 0 C-N-CA 121.661 1.574 . . . . 0.0 111.182 173.37 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . -61.99 -14.89 39.68 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.178 -177.104 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 127' ' ' ASP . . . . . . . . . . . . . 78.8 m-20 -99.68 -17.31 17.83 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.194 -175.421 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 128' ' ' VAL . . . . . . . . . . . . . 83.3 t -94.98 140.13 17.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.155 -178.826 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 85.6 m-20 -109.82 154.49 42.52 Favored Pre-proline 0 C--N 1.328 -0.327 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.204 179.084 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 130' ' ' PRO . . . . . . . . . . . . . 82.1 Cg_exo -53.19 -31.92 57.6 Favored 'Trans proline' 0 N--CA 1.458 -0.575 0 C-N-CA 121.739 1.626 . . . . 0.0 111.235 -179.882 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 131' ' ' LEU . . . . . . . . . . . . . 95.8 mt -81.76 -31.79 31.78 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.166 -174.777 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 132' ' ' THR . . . . . . . . . . . . . 82.2 p -72.47 -23.46 61.05 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.202 178.832 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 133' ' ' ILE . . . . . . . . . . . . . 93.6 mt -73.81 127.68 35.81 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.383 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.292 177.008 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 134' ' ' THR . . . . . . . . . . . . . 98.2 m -112.18 132.68 54.75 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.177 -178.804 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 135' ' ' SER . . . . . . . . . . . . . 30.2 t -111.72 130.41 55.79 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.219 -179.976 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 136' ' ' SER . . . . . . . . . . . . . 42.6 t -141.75 127.05 18.66 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.243 -177.764 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 137' ' ' LEU . . . . . . . . . . . . . 63.6 tp -98.99 128.68 45.18 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.287 -0.415 . . . . 0.0 111.167 -175.93 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 138' ' ' SER . . . . . . . . . . . . . 59.7 p -86.57 166.07 15.71 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.173 177.405 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 139' ' ' SER . . . . . . . . . . . . . 88.7 p -76.8 -11.22 59.8 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.23 178.74 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 140' ' ' ASP . . . . . . . . . . . . . 89.2 m-20 -90.04 -1.86 58.03 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.067 -0.515 . . . . 0.0 111.125 178.995 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 141' ' ' GLY . . . . . . . . . . . . . . . 83.78 35.8 15.26 Favored Glycine 0 CA--C 1.524 0.624 0 N-CA-C 111.275 -0.73 . . . . 0.0 111.275 179.507 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 142' ' ' VAL . . . . . . . . . . . . . 62.0 t -115.53 108.15 24.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-O 120.851 0.358 . . . . 0.0 111.129 174.252 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 143' ' ' LEU . . . . . . . . . . . . . 62.1 tp -91.48 110.15 21.46 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.204 -177.74 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 144' ' ' THR . . . . . . . . . . . . . 97.1 m -96.54 115.41 27.38 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.229 -174.579 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 145' ' ' VAL . . . . . . . . . . . . . 60.3 t -120.26 113.38 40.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.153 -179.319 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 146' ' ' ASP . . . . . 0.708 ' OD1' ' O ' ' A' ' 146' ' ' ASP . 32.4 p30 -141.43 130.12 22.83 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.166 -159.045 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 147' ' ' GLY . . . . . . . . . . . . . . . -114.06 158.05 14.56 Favored Glycine 0 CA--C 1.522 0.518 0 N-CA-C 111.189 -0.764 . . . . 0.0 111.189 174.437 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 148' ' ' PRO . . . . . . . . . . . . . 56.8 Cg_endo -85.21 -45.61 0.05 OUTLIER 'Trans proline' 0 N--CA 1.458 -0.605 0 C-N-CA 121.748 1.632 . . . . 0.0 111.279 -162.948 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 149' ' ' ARG . . . . . . . . . . . . . 84.3 mtp180 . . . . . 0 C--N 1.328 -0.345 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.229 -163.622 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' B' B ' 67' ' ' GLU . . . . . . . . . . . . . 88.4 tt0 . . . . . 0 N--CA 1.457 -0.116 0 CA-C-O 120.743 0.306 . . . . 0.0 111.164 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' B' B ' 68' ' ' MET . . . . . . . . . . . . . 1.9 pmm? -82.61 157.87 23.26 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.305 175.943 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 69' ' ' ARG . . . . . . . . . . . . . 60.0 ttp180 -127.74 139.81 52.45 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.096 -178.162 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 70' ' ' LEU . . . . . . . . . . . . . 55.5 mt -99.95 100.64 11.56 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.14 169.664 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 71' ' ' GLU . . . . . 0.56 ' O ' ' C ' ' B' ' 72' ' ' LYS . 95.7 mt-10 -68.11 -176.25 0.69 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.202 174.28 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 72' ' ' LYS . . . . . 0.56 ' C ' ' O ' ' B' ' 71' ' ' GLU . 88.0 tttt -27.29 -60.24 0.1 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.067 -168.446 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 73' ' ' ASP . . . . . . . . . . . . . 58.8 p30 -142.34 26.74 1.78 Allowed 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.173 -172.626 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 74' ' ' ARG . . . . . . . . . . . . . 15.6 ptm180 -146.3 171.29 15.21 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.234 -171.909 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 75' ' ' PHE . . . . . . . . . . . . . 10.6 p90 -120.07 146.92 45.46 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.214 -178.935 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 76' ' ' SER . . . . . . . . . . . . . 36.0 t -139.34 121.45 15.75 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.16 179.685 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 77' ' ' VAL . . . . . . . . . . . . . 94.4 t -99.59 110.72 27.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.156 -174.394 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 78' ' ' ASN . . . . . . . . . . . . . 77.1 m-20 -92.64 104.86 17.11 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.089 -0.505 . . . . 0.0 111.277 -179.771 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 79' ' ' LEU . . . . . . . . . . . . . 85.7 mt -96.91 133.65 41.27 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.224 -173.568 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 80' ' ' ASP . . . . . . . . . . . . . 67.4 t0 -83.65 104.65 13.94 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.185 174.558 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 81' ' ' VAL . . . . . . . . . . . . . 34.6 m -131.84 3.83 1.78 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.399 0 CA-C-N 116.307 -0.406 . . . . 0.0 111.235 -171.765 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 82' ' ' LYS . . . . . . . . . . . . . 88.3 tttt -47.37 -48.87 25.6 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.203 177.389 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 83' ' ' HIS . . . . . . . . . . . . . 20.8 p-80 -77.23 -20.54 55.11 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.2 -174.618 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 84' ' ' PHE . . . . . . . . . . . . . 20.3 m-30 -72.25 145.33 48.0 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.17 178.539 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 85' ' ' SER . . . . . 0.444 ' O ' ' N ' ' B' ' 89' ' ' LEU . 72.2 m -100.32 148.92 35.57 Favored Pre-proline 0 C--N 1.328 -0.342 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.207 175.422 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 86' ' ' PRO . . . . . 0.421 ' HD3' ' HA ' ' B' ' 85' ' ' SER . 71.9 Cg_exo -54.16 -33.3 73.91 Favored 'Trans proline' 0 N--CA 1.458 -0.587 0 C-N-CA 121.715 1.61 . . . . 0.0 111.215 177.415 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 87' ' ' GLU . . . . . . . . . . . . . 99.2 mt-10 -80.28 -18.09 50.3 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.249 -179.854 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 88' ' ' GLU . . . . . . . . . . . . . 60.3 mt-10 -104.92 -13.55 15.76 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.236 178.936 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 89' ' ' LEU . . . . . 0.444 ' N ' ' O ' ' B' ' 85' ' ' SER . 58.7 tp -102.82 112.79 25.75 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.258 -169.227 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 90' ' ' LYS . . . . . . . . . . . . . 98.4 mttt -119.67 81.42 1.72 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.139 178.724 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 91' ' ' VAL . . . . . . . . . . . . . 86.9 t -90.58 127.46 43.05 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.385 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.201 177.314 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 92' ' ' LYS . . . . . 0.401 ' O ' ' N ' ' B' ' 99' ' ' GLU . 87.8 tttt -149.67 128.65 12.64 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.214 -171.78 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 93' ' ' VAL . . . . . . . . . . . . . 73.2 t -72.53 97.49 0.75 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.258 171.862 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 94' ' ' LEU . . . . . 0.469 ' HB3' HG23 ' B' ' 97' ' ' VAL . 60.0 tp -97.44 78.42 2.68 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.202 -161.911 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 95' ' ' GLY . . . . . . . . . . . . . . . 70.22 -106.65 1.9 Allowed Glycine 0 CA--C 1.523 0.533 0 N-CA-C 111.294 -0.722 . . . . 0.0 111.294 175.575 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 96' ' ' ASP . . . . . . . . . . . . . 49.8 p-10 -95.81 2.39 53.76 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-O 120.789 0.328 . . . . 0.0 111.206 -177.765 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 97' ' ' VAL . . . . . 0.52 ' HA ' ' HA ' ' B' ' 123' ' ' ARG . 32.9 m -128.7 175.2 10.71 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.27 172.395 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 98' ' ' ILE . . . . . 0.41 ' HB ' ' HB3' ' B' ' 122' ' ' TYR . 72.0 mt -117.03 92.11 2.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.19 174.591 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 99' ' ' GLU . . . . . 0.401 ' N ' ' O ' ' B' ' 92' ' ' LYS . 82.5 tt0 -62.42 130.67 46.28 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.197 -176.73 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 100' ' ' VAL . . . . . 0.515 ' HB ' ' HB2' ' B' ' 120' ' ' ARG . 30.5 t -119.48 91.81 1.95 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.179 166.608 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 101' ' ' HIS . . . . . . . . . . . . . 57.8 t-80 -102.98 64.72 0.86 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.246 -171.933 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 102' ' ' GLY . . . . . . . . . . . . . . . -95.1 176.43 34.41 Favored Glycine 0 CA--C 1.522 0.529 0 N-CA-C 111.215 -0.754 . . . . 0.0 111.215 -175.433 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 103' ' ' LYS . . . . . 0.448 ' HB3' ' HA ' ' B' ' 117' ' ' GLU . 64.8 pttt -174.76 154.94 2.04 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.769 0.319 . . . . 0.0 111.263 169.278 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 104' ' ' HIS . . . . . 0.475 ' ND1' ' C ' ' B' ' 104' ' ' HIS . 0.3 OUTLIER -134.3 102.62 5.42 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.162 168.139 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' B' B ' 105' ' ' GLU . . . . . 0.408 ' HG2' ' HG3' ' B' ' 106' ' ' GLU . 88.6 tt0 -81.4 144.47 31.4 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.195 179.5 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 106' ' ' GLU . . . . . 0.428 ' HA ' ' CD2' ' B' ' 113' ' ' PHE . 94.3 mt-10 63.05 53.18 2.38 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.217 -173.494 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 107' ' ' ARG . . . . . 0.445 ' HB3' HG13 ' B' ' 114' ' ' ILE . 60.3 ttt-85 -108.72 92.15 3.94 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.194 -174.176 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 108' ' ' GLN . . . . . . . . . . . . . 66.4 tt0 -58.51 120.33 8.63 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.136 177.762 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 109' ' ' ASP . . . . . . . . . . . . . 53.1 p30 -160.32 -149.7 0.2 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.221 -173.05 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 110' ' ' GLU . . . . . . . . . . . . . 88.5 tt0 -45.54 -67.43 0.28 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.137 -176.068 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 111' ' ' HIS . . . . . . . . . . . . . 97.9 m-70 -96.83 78.04 2.85 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.215 -174.884 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 112' ' ' GLY . . . . . 0.408 ' HA3' ' HA ' ' A' ' 122' ' ' TYR . . . 69.73 -111.8 4.07 Favored Glycine 0 CA--C 1.522 0.525 0 N-CA-C 111.14 -0.784 . . . . 0.0 111.14 -179.615 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 113' ' ' PHE . . . . . 0.428 ' CD2' ' HA ' ' B' ' 106' ' ' GLU . 46.5 p90 -138.16 153.89 49.18 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 120.798 0.332 . . . . 0.0 111.202 162.058 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 114' ' ' ILE . . . . . 0.645 HD12 ' C ' ' B' ' 114' ' ' ILE . 2.3 pp -120.8 164.87 16.87 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.203 -167.762 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 115' ' ' SER . . . . . . . . . . . . . 46.9 t -138.66 99.25 3.76 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.182 162.013 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 116' ' ' ARG . . . . . . . . . . . . . 89.1 mtm180 -112.96 111.51 22.31 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.16 -167.636 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 117' ' ' GLU . . . . . 0.454 ' HB3' ' HB3' ' A' ' 117' ' ' GLU . 86.3 tt0 -85.66 104.65 15.59 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.078 176.727 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 118' ' ' PHE . . . . . . . . . . . . . 74.6 m-85 -84.12 163.19 19.96 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.178 -173.814 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 119' ' ' HIS . . . . . . . . . . . . . 9.4 t-160 -163.64 62.34 0.17 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.169 178.741 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 120' ' ' ARG . . . . . 0.515 ' HB2' ' HB ' ' B' ' 100' ' ' VAL . 79.7 mtt-85 -84.29 103.13 13.22 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.22 -172.591 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 121' ' ' LYS . . . . . . . . . . . . . 97.3 mttt -85.61 85.48 7.41 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.238 175.39 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 122' ' ' TYR . . . . . 0.444 ' CD1' ' C ' ' B' ' 122' ' ' TYR . 4.7 t80 -81.19 109.96 16.23 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.156 179.356 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 123' ' ' ARG . . . . . 0.52 ' HA ' ' HA ' ' B' ' 97' ' ' VAL . 7.3 ttp180 -77.66 139.87 39.51 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.197 -159.982 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 124' ' ' ILE . . . . . . . . . . . . . 72.4 mt -89.56 133.55 34.26 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.219 -172.599 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 125' ' ' PRO . . . . . . . . . . . . . 77.5 Cg_exo -50.41 146.88 17.89 Favored 'Trans proline' 0 N--CA 1.459 -0.516 0 C-N-CA 121.615 1.543 . . . . 0.0 111.252 173.305 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 126' ' ' ALA . . . . . . . . . . . . . . . -61.94 -14.8 38.18 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.226 -177.154 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 127' ' ' ASP . . . . . . . . . . . . . 78.7 m-20 -99.65 -17.41 17.8 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.167 -175.446 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 128' ' ' VAL . . . . . . . . . . . . . 83.8 t -94.83 139.99 17.6 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.208 -178.768 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 129' ' ' ASP . . . . . . . . . . . . . 85.9 m-20 -109.86 154.56 42.52 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.169 179.063 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 130' ' ' PRO . . . . . . . . . . . . . 82.9 Cg_exo -53.19 -31.95 57.79 Favored 'Trans proline' 0 N--CA 1.458 -0.566 0 C-N-CA 121.699 1.599 . . . . 0.0 111.244 -179.89 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 131' ' ' LEU . . . . . . . . . . . . . 95.8 mt -81.84 -31.64 31.56 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.153 -174.712 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 132' ' ' THR . . . . . . . . . . . . . 82.0 p -72.45 -23.55 61.07 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.219 178.735 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 133' ' ' ILE . . . . . . . . . . . . . 93.9 mt -73.81 127.75 35.85 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.383 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.107 177.161 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 134' ' ' THR . . . . . . . . . . . . . 97.9 m -112.22 132.58 54.84 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.16 -178.78 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 135' ' ' SER . . . . . . . . . . . . . 30.1 t -111.63 130.52 55.73 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.317 -0.401 . . . . 0.0 111.25 179.947 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 136' ' ' SER . . . . . . . . . . . . . 42.6 t -141.84 127.0 18.5 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.188 -177.765 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 137' ' ' LEU . . . . . . . . . . . . . 63.3 tp -98.9 128.69 45.15 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.211 -176.026 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 138' ' ' SER . . . . . . . . . . . . . 59.6 p -86.65 166.11 15.61 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.214 177.405 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 139' ' ' SER . . . . . . . . . . . . . 87.8 p -76.77 -11.26 59.81 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.252 178.757 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 140' ' ' ASP . . . . . . . . . . . . . 89.3 m-20 -89.89 -1.84 58.06 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.05 -0.523 . . . . 0.0 111.222 178.905 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 141' ' ' GLY . . . . . . . . . . . . . . . 83.69 35.87 15.33 Favored Glycine 0 CA--C 1.523 0.534 0 N-CA-C 111.243 -0.743 . . . . 0.0 111.243 179.498 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 142' ' ' VAL . . . . . . . . . . . . . 60.5 t -115.6 108.15 24.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-O 120.867 0.365 . . . . 0.0 111.24 174.173 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 143' ' ' LEU . . . . . . . . . . . . . 62.3 tp -91.51 110.25 21.56 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.167 -177.661 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 144' ' ' THR . . . . . . . . . . . . . 97.6 m -96.48 115.43 27.41 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.162 -174.606 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 145' ' ' VAL . . . . . . . . . . . . . 60.3 t -120.28 113.32 39.98 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.121 -0.491 . . . . 0.0 111.255 -179.456 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 146' ' ' ASP . . . . . 0.716 ' OD1' ' O ' ' B' ' 146' ' ' ASP . 32.5 p30 -141.39 130.12 22.88 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.195 -159.008 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 147' ' ' GLY . . . . . . . . . . . . . . . -114.05 158.21 14.46 Favored Glycine 0 CA--C 1.522 0.526 0 N-CA-C 111.2 -0.76 . . . . 0.0 111.2 174.457 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 148' ' ' PRO . . . . . . . . . . . . . 56.4 Cg_endo -85.41 -45.62 0.05 OUTLIER 'Trans proline' 0 N--CA 1.457 -0.633 0 C-N-CA 121.8 1.667 . . . . 0.0 111.165 -162.79 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 149' ' ' ARG . . . . . . . . . . . . . 84.4 mtp180 . . . . . 0 C--N 1.329 -0.315 0 CA-C-N 116.275 -0.421 . . . . 0.0 111.177 -163.527 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 67' ' ' GLU . . . . . 0.404 ' OE1' ' N ' ' A' ' 67' ' ' GLU . 24.4 pm0 . . . . . 0 CA--C 1.522 -0.122 0 CA-C-O 120.848 0.356 . . . . 0.0 111.179 . . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 68' ' ' MET . . . . . . . . . . . . . 63.6 mtm -70.36 149.57 47.2 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.169 -0.468 . . . . 0.0 111.119 -178.164 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 79.7 ttt180 -125.01 97.18 5.15 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.186 -177.942 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 70' ' ' LEU . . . . . 0.502 HD23 ' C ' ' A' ' 70' ' ' LEU . 8.6 tt -96.77 106.07 18.31 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.194 175.938 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 71' ' ' GLU . . . . . 0.498 ' O ' ' C ' ' A' ' 72' ' ' LYS . 78.2 mm-40 -97.34 -177.25 3.77 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.245 176.769 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 72' ' ' LYS . . . . . 0.498 ' C ' ' O ' ' A' ' 71' ' ' GLU . 88.0 tttt -29.11 -57.35 0.14 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.21 -179.161 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 52.6 p-10 -137.92 42.2 2.28 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.168 -177.662 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 90.7 mmt-85 -137.21 171.19 14.87 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.305 -178.165 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 75' ' ' PHE . . . . . 0.538 ' O ' ' CD2' ' A' ' 75' ' ' PHE . 47.7 t80 -172.5 84.58 0.06 Allowed 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.189 174.886 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 82.5 p -112.53 172.88 6.65 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.198 -175.986 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 5.3 p -151.99 148.39 14.51 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.261 168.802 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 57.6 t-20 -137.32 107.96 6.58 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.284 -0.416 . . . . 0.0 111.182 -178.249 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 1.1 pt? -131.44 152.93 50.25 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.101 -178.801 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 65.5 t0 -99.54 119.37 37.93 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.195 -170.028 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 17.6 m -131.63 43.77 0.6 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.127 174.336 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 64.1 pttt -70.11 -18.88 63.26 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.134 -178.023 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 96.4 m-70 -83.82 -7.23 59.5 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.283 178.111 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 84' ' ' PHE . . . . . . . . . . . . . 36.2 m-85 -106.24 170.8 7.71 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.22 -176.145 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 75.6 m -124.66 153.0 69.98 Favored Pre-proline 0 C--N 1.328 -0.327 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.126 -178.05 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 74.3 Cg_exo -54.86 -26.76 49.9 Favored 'Trans proline' 0 N--CA 1.459 -0.541 0 C-N-CA 121.637 1.558 . . . . 0.0 111.209 177.365 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 99.0 mt-10 -87.24 -25.15 24.13 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.141 -0.482 . . . . 0.0 111.261 176.961 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 98.5 mt-10 -95.69 -7.43 37.43 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.24 -178.023 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 2.0 pp -136.33 147.68 47.53 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.202 177.918 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 83.7 tttt -152.98 119.22 5.51 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.239 176.439 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 97.5 t -73.04 117.39 16.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.239 175.682 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 92' ' ' LYS . . . . . 0.406 ' HB2' ' HG3' ' A' ' 99' ' ' GLU . 99.1 mttt -123.69 174.69 7.31 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.339 -0.392 . . . . 0.0 111.207 179.381 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 33.7 m -129.19 161.21 39.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.069 172.898 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 22.1 tp -147.48 69.24 1.14 Allowed 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.182 173.989 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 82.55 -104.29 2.5 Favored Glycine 0 CA--C 1.523 0.578 0 N-CA-C 111.184 -0.766 . . . . 0.0 111.184 -177.669 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 85.1 m-20 -96.56 11.71 34.22 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.842 0.353 . . . . 0.0 111.13 -174.007 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 97' ' ' VAL . . . . . 0.4 ' HB ' ' HB3' ' A' ' 121' ' ' LYS . 28.0 m -126.83 161.27 33.86 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.233 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.173 178.683 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 98' ' ' ILE . . . . . 0.479 ' HB ' ' HB2' ' A' ' 122' ' ' TYR . 59.1 mt -119.02 68.51 0.29 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.234 173.78 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 99' ' ' GLU . . . . . 0.669 ' O ' ' HG3' ' A' ' 99' ' ' GLU . 21.7 pt-20 -54.95 100.95 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.11 -174.437 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 100' ' ' VAL . . . . . . . . . . . . . 73.9 t -78.23 94.72 1.59 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.067 174.519 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 101' ' ' HIS . . . . . 0.461 ' HA ' ' HA ' ' A' ' 119' ' ' HIS . 9.3 t-160 -78.46 84.65 4.59 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.163 -0.472 . . . . 0.0 111.198 -173.485 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . -105.05 155.26 17.14 Favored Glycine 0 CA--C 1.523 0.57 0 N-CA-C 111.152 -0.779 . . . . 0.0 111.152 -179.114 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 103' ' ' LYS . . . . . 0.405 ' HA ' ' O ' ' A' ' 116' ' ' ARG . 64.6 pttt -166.99 127.65 1.56 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.908 0.385 . . . . 0.0 111.138 173.312 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 104' ' ' HIS . . . . . . . . . . . . . 23.0 t-160 -113.13 103.41 11.33 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.17 174.386 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 90.9 mt-10 -91.59 154.99 18.68 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.141 -0.482 . . . . 0.0 111.165 -176.637 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 94.7 mt-10 60.34 53.84 4.16 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.195 177.706 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 107' ' ' ARG . . . . . 0.454 ' HB3' HG13 ' A' ' 114' ' ' ILE . 49.5 ttt85 -106.65 108.49 20.03 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.194 -169.886 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 108' ' ' GLN . . . . . . . . . . . . . 69.5 tp60 -69.76 124.98 25.37 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.17 176.269 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 58.0 p-10 -146.31 -167.55 2.77 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.086 -0.506 . . . . 0.0 111.126 177.486 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 24.9 pm0 -66.3 -20.15 66.02 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.289 -0.414 . . . . 0.0 111.129 -177.008 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 111' ' ' HIS . . . . . 0.432 ' O ' ' HA ' ' B' ' 122' ' ' TYR . 56.4 m-70 -83.62 -42.52 16.62 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.334 -0.394 . . . . 0.0 111.273 178.739 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 112' ' ' GLY . . . . . 0.408 ' HA3' ' O ' ' B' ' 121' ' ' LYS . . . 156.25 -119.64 0.93 Allowed Glycine 0 CA--C 1.524 0.608 0 N-CA-C 111.266 -0.734 . . . . 0.0 111.266 -170.611 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 113' ' ' PHE . . . . . . . . . . . . . 55.7 m-85 -114.39 117.59 31.47 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.746 0.308 . . . . 0.0 111.241 162.976 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 114' ' ' ILE . . . . . 0.454 HG13 ' HB3' ' A' ' 107' ' ' ARG . 46.3 pt -104.92 170.24 2.06 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.374 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.256 172.481 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 115' ' ' SER . . . . . 0.407 ' O ' ' HA ' ' B' ' 118' ' ' PHE . 34.8 t -144.23 83.34 1.73 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.141 -0.482 . . . . 0.0 111.22 -176.955 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 116' ' ' ARG . . . . . 0.405 ' O ' ' HA ' ' A' ' 103' ' ' LYS . 90.5 mtm180 -72.14 135.05 46.07 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.321 -0.4 . . . . 0.0 111.306 -172.555 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 87.5 tt0 -144.23 135.49 25.52 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.209 171.357 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 118' ' ' PHE . . . . . 0.406 ' HA ' ' O ' ' B' ' 115' ' ' SER . 23.3 p90 -161.24 168.43 24.12 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.215 -174.99 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 119' ' ' HIS . . . . . 0.83 ' O ' ' ND1' ' A' ' 119' ' ' HIS . 18.0 p80 -143.26 81.51 1.71 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.248 174.953 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 120' ' ' ARG . . . . . 0.439 ' HA ' HG22 ' B' ' 114' ' ' ILE . 87.0 mtt-85 -68.15 93.81 0.47 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.227 -163.639 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 121' ' ' LYS . . . . . 0.409 ' O ' ' HA3' ' B' ' 112' ' ' GLY . 97.3 mttt -68.09 76.6 0.23 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.151 -179.532 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 122' ' ' TYR . . . . . 0.479 ' HB2' ' HB ' ' A' ' 98' ' ' ILE . 40.4 m-85 -59.49 106.86 0.5 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.16 174.461 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 123' ' ' ARG . . . . . . . . . . . . . 14.8 tpt180 -78.78 113.58 16.98 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.197 -167.974 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 124' ' ' ILE . . . . . . . . . . . . . 85.2 mt -71.15 121.16 83.4 Favored Pre-proline 0 C--N 1.33 -0.247 0 CA-C-N 116.11 -0.495 . . . . 0.0 111.168 -175.152 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 125' ' ' PRO . . . . . . . . . . . . . 78.6 Cg_exo -51.09 143.55 31.61 Favored 'Trans proline' 0 N--CA 1.458 -0.617 0 C-N-CA 121.646 1.564 . . . . 0.0 111.243 174.196 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . -62.49 -13.82 34.69 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.205 -176.047 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 127' ' ' ASP . . . . . . . . . . . . . 83.0 m-20 -99.25 13.93 31.34 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.257 -177.347 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 128' ' ' VAL . . . . . . . . . . . . . 82.4 t -121.63 133.86 66.76 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.241 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.226 -179.397 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 129' ' ' ASP . . . . . 0.417 ' HA ' ' HD2' ' A' ' 130' ' ' PRO . 64.0 t0 -84.02 119.37 73.3 Favored Pre-proline 0 C--N 1.33 -0.269 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.166 178.594 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 130' ' ' PRO . . . . . 0.417 ' HD2' ' HA ' ' A' ' 129' ' ' ASP . 46.8 Cg_endo -70.56 -14.23 33.38 Favored 'Trans proline' 0 N--CA 1.459 -0.545 0 C-N-CA 121.696 1.598 . . . . 0.0 111.208 -174.665 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 131' ' ' LEU . . . . . . . . . . . . . 95.9 mt -88.53 -1.48 58.08 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.223 -178.792 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 132' ' ' THR . . . . . . . . . . . . . 76.6 p -110.39 4.06 20.3 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.219 -178.73 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 133' ' ' ILE . . . . . 0.481 ' HA ' ' HA3' ' A' ' 147' ' ' GLY . 88.0 mt -95.09 121.84 46.02 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.276 -173.656 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 134' ' ' THR . . . . . . . . . . . . . 54.9 p -107.71 172.8 6.62 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.179 176.846 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 135' ' ' SER . . . . . . . . . . . . . 34.3 t -150.09 140.28 22.16 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.161 -177.816 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 136' ' ' SER . . . . . . . . . . . . . 89.9 p -148.61 156.36 42.31 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.331 -0.395 . . . . 0.0 111.186 179.106 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 137' ' ' LEU . . . . . . . . . . . . . 66.0 tp -134.27 119.35 18.62 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.237 -177.261 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 138' ' ' SER . . . . . . . . . . . . . 60.2 p -78.72 167.25 21.48 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 116.314 -0.403 . . . . 0.0 111.23 -178.99 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 139' ' ' SER . . . . . . . . . . . . . 86.2 p -70.11 -17.77 63.22 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.157 176.534 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 140' ' ' ASP . . . . . . . . . . . . . 93.4 m-20 -82.67 -10.3 58.99 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.201 176.988 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 141' ' ' GLY . . . . . . . . . . . . . . . 94.64 19.02 33.24 Favored Glycine 0 CA--C 1.524 0.615 0 N-CA-C 111.217 -0.753 . . . . 0.0 111.217 177.303 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 142' ' ' VAL . . . . . . . . . . . . . 68.2 t -84.44 101.77 9.45 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-O 120.7 0.286 . . . . 0.0 111.184 178.318 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 143' ' ' LEU . . . . . . . . . . . . . 60.1 tp -92.33 117.79 30.26 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.289 -0.414 . . . . 0.0 111.21 -179.363 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 144' ' ' THR . . . . . . . . . . . . . 98.8 m -121.84 126.9 49.83 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.13 -175.051 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 145' ' ' VAL . . . . . . . . . . . . . 48.4 t -128.15 121.62 56.28 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.211 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.186 177.301 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 146' ' ' ASP . . . . . . . . . . . . . 61.8 t0 -152.93 123.39 7.2 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.264 -162.808 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 147' ' ' GLY . . . . . 0.481 ' HA3' ' HA ' ' A' ' 133' ' ' ILE . . . -139.83 131.16 5.01 Favored Glycine 0 CA--C 1.524 0.606 0 N-CA-C 111.245 -0.742 . . . . 0.0 111.245 174.888 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 148' ' ' PRO . . . . . . . . . . . . . 73.9 Cg_exo -54.04 146.38 48.24 Favored 'Trans proline' 0 N--CA 1.458 -0.605 0 C-N-CA 121.687 1.591 . . . . 0.0 111.219 177.526 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 149' ' ' ARG . . . . . . . . . . . . . 82.0 mtp180 . . . . . 0 C--N 1.329 -0.31 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.156 -179.471 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' B' B ' 67' ' ' GLU . . . . . 0.408 ' N ' ' OE1' ' B' ' 67' ' ' GLU . 24.4 pm0 . . . . . 0 C--O 1.231 0.123 0 CA-C-O 120.754 0.311 . . . . 0.0 111.236 . . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 68' ' ' MET . . . . . . . . . . . . . 63.0 mtm -70.21 149.52 47.4 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.242 -178.195 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 69' ' ' ARG . . . . . . . . . . . . . 79.7 ttt180 -125.04 97.08 5.1 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.271 -177.974 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 70' ' ' LEU . . . . . 0.494 ' C ' HD23 ' B' ' 70' ' ' LEU . 8.6 tt -96.68 106.14 18.36 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.06 176.102 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 71' ' ' GLU . . . . . 0.492 ' O ' ' C ' ' B' ' 72' ' ' LYS . 78.1 mm-40 -97.34 -177.22 3.75 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.257 -0.428 . . . . 0.0 111.176 176.707 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 72' ' ' LYS . . . . . 0.492 ' C ' ' O ' ' B' ' 71' ' ' GLU . 88.0 tttt -29.11 -57.36 0.14 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.147 -179.218 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 73' ' ' ASP . . . . . . . . . . . . . 52.6 p-10 -137.93 42.15 2.28 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.201 -177.581 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 74' ' ' ARG . . . . . . . . . . . . . 90.6 mmt-85 -137.24 171.15 14.91 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.089 -178.003 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 75' ' ' PHE . . . . . 0.531 ' O ' ' CD2' ' B' ' 75' ' ' PHE . 47.4 t80 -172.51 84.58 0.06 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.072 -0.513 . . . . 0.0 111.228 174.729 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 76' ' ' SER . . . . . . . . . . . . . 82.4 p -112.44 172.91 6.63 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.155 -175.976 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 77' ' ' VAL . . . . . . . . . . . . . 5.1 p -151.96 148.39 14.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.273 168.775 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 78' ' ' ASN . . . . . . . . . . . . . 57.6 t-20 -137.36 108.01 6.59 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.157 -178.315 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 79' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -131.47 152.94 50.27 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.145 -178.821 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 80' ' ' ASP . . . . . . . . . . . . . 65.4 t0 -99.51 119.34 37.87 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.196 -169.985 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 81' ' ' VAL . . . . . . . . . . . . . 17.8 m -131.63 43.79 0.59 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.39 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.176 174.256 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 82' ' ' LYS . . . . . . . . . . . . . 64.0 pttt -69.98 -18.91 63.36 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.197 -178.137 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 83' ' ' HIS . . . . . . . . . . . . . 96.4 m-70 -83.76 -7.47 59.46 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.173 178.219 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 84' ' ' PHE . . . . . . . . . . . . . 37.1 m-85 -106.14 170.92 7.63 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.145 -176.1 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 85' ' ' SER . . . . . . . . . . . . . 75.7 m -124.73 152.99 70.22 Favored Pre-proline 0 C--N 1.328 -0.333 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.218 -178.155 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 86' ' ' PRO . . . . . . . . . . . . . 75.1 Cg_exo -54.84 -26.83 50.0 Favored 'Trans proline' 0 N--CA 1.459 -0.528 0 C-N-CA 121.602 1.534 . . . . 0.0 111.178 177.408 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 87' ' ' GLU . . . . . . . . . . . . . 99.1 mt-10 -87.23 -25.11 24.15 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.259 176.992 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 88' ' ' GLU . . . . . . . . . . . . . 98.5 mt-10 -95.64 -7.38 37.75 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.234 -178.083 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 89' ' ' LEU . . . . . . . . . . . . . 2.0 pp -136.38 147.62 47.42 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.164 178.03 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 90' ' ' LYS . . . . . . . . . . . . . 83.8 tttt -152.97 119.17 5.5 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.142 176.494 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 91' ' ' VAL . . . . . . . . . . . . . 97.0 t -73.07 117.45 16.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.187 175.658 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 92' ' ' LYS . . . . . 0.415 ' HB2' ' HG3' ' B' ' 99' ' ' GLU . 99.2 mttt -123.71 174.68 7.32 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.24 -0.437 . . . . 0.0 111.296 179.325 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 93' ' ' VAL . . . . . . . . . . . . . 33.7 m -129.22 161.32 38.87 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.275 -0.42 . . . . 0.0 111.15 172.829 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 94' ' ' LEU . . . . . . . . . . . . . 22.0 tp -147.56 69.18 1.14 Allowed 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.142 174.118 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 95' ' ' GLY . . . . . . . . . . . . . . . 82.64 -104.29 2.51 Favored Glycine 0 CA--C 1.523 0.553 0 N-CA-C 111.196 -0.762 . . . . 0.0 111.196 -177.64 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 96' ' ' ASP . . . . . . . . . . . . . 84.9 m-20 -96.59 11.62 34.58 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-O 120.941 0.4 . . . . 0.0 111.206 -174.023 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 97' ' ' VAL . . . . . . . . . . . . . 28.8 m -126.8 161.33 33.66 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.222 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.222 178.592 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 98' ' ' ILE . . . . . 0.483 ' HB ' ' HB2' ' B' ' 122' ' ' TYR . 58.8 mt -119.03 68.47 0.29 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.193 173.82 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 99' ' ' GLU . . . . . 0.667 ' HG3' ' O ' ' B' ' 99' ' ' GLU . 21.8 pt-20 -54.92 100.88 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.246 -174.541 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 100' ' ' VAL . . . . . . . . . . . . . 72.4 t -78.05 94.44 1.51 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.369 0 CA-C-N 116.268 -0.423 . . . . 0.0 111.2 174.556 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 101' ' ' HIS . . . . . 0.458 ' HA ' ' HA ' ' B' ' 119' ' ' HIS . 9.2 t-160 -78.23 84.6 4.43 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.145 -173.406 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 102' ' ' GLY . . . . . . . . . . . . . . . -105.03 155.29 17.14 Favored Glycine 0 CA--C 1.523 0.536 0 N-CA-C 111.243 -0.743 . . . . 0.0 111.243 -179.297 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 103' ' ' LYS . . . . . 0.408 ' HA ' ' O ' ' B' ' 116' ' ' ARG . 64.6 pttt -166.88 127.64 1.59 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.812 0.339 . . . . 0.0 111.179 173.303 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 104' ' ' HIS . . . . . . . . . . . . . 23.0 t-160 -113.04 103.28 11.22 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.157 174.417 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 105' ' ' GLU . . . . . . . . . . . . . 90.9 mt-10 -91.53 154.94 18.75 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.303 -0.408 . . . . 0.0 111.237 -176.658 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 106' ' ' GLU . . . . . . . . . . . . . 94.8 mt-10 60.43 53.68 4.15 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.296 -0.411 . . . . 0.0 111.318 177.771 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 107' ' ' ARG . . . . . 0.454 ' HB3' HG13 ' B' ' 114' ' ' ILE . 49.5 ttt85 -106.65 108.4 19.88 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.196 -169.766 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 108' ' ' GLN . . . . . . . . . . . . . 69.6 tp60 -69.58 124.84 24.97 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.275 176.224 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 109' ' ' ASP . . . . . . . . . . . . . 58.1 p-10 -146.12 -167.48 2.74 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.173 177.471 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 110' ' ' GLU . . . . . . . . . . . . . 24.9 pm0 -66.42 -20.1 65.97 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.147 -177.067 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 111' ' ' HIS . . . . . 0.435 ' O ' ' HA ' ' A' ' 122' ' ' TYR . 56.8 m-70 -83.69 -42.53 16.51 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.275 -0.42 . . . . 0.0 111.23 178.771 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 112' ' ' GLY . . . . . 0.409 ' HA3' ' O ' ' A' ' 121' ' ' LYS . . . 156.28 -119.87 0.95 Allowed Glycine 0 CA--C 1.522 0.53 0 N-CA-C 111.164 -0.775 . . . . 0.0 111.164 -170.547 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 113' ' ' PHE . . . . . . . . . . . . . 55.3 m-85 -114.27 117.77 32.05 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-O 120.865 0.364 . . . . 0.0 111.145 162.934 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 114' ' ' ILE . . . . . 0.454 HG13 ' HB3' ' B' ' 107' ' ' ARG . 46.5 pt -105.03 170.22 2.08 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.202 172.421 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 115' ' ' SER . . . . . 0.406 ' O ' ' HA ' ' A' ' 118' ' ' PHE . 35.1 t -144.2 83.37 1.73 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.181 -177.034 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 116' ' ' ARG . . . . . 0.408 ' O ' ' HA ' ' B' ' 103' ' ' LYS . 90.5 mtm180 -71.97 135.09 46.31 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.31 -0.404 . . . . 0.0 111.332 -172.664 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 117' ' ' GLU . . . . . . . . . . . . . 87.5 tt0 -144.27 135.31 25.29 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.27 171.405 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 118' ' ' PHE . . . . . 0.407 ' HA ' ' O ' ' A' ' 115' ' ' SER . 23.5 p90 -161.15 168.39 24.36 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.208 -174.969 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 119' ' ' HIS . . . . . 0.834 ' O ' ' ND1' ' B' ' 119' ' ' HIS . 17.9 p80 -143.22 81.47 1.71 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.21 174.896 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 120' ' ' ARG . . . . . 0.448 ' HA ' HG22 ' A' ' 114' ' ' ILE . 87.0 mtt-85 -68.14 93.92 0.47 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.187 -163.638 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 121' ' ' LYS . . . . . 0.408 ' O ' ' HA3' ' A' ' 112' ' ' GLY . 97.3 mttt -68.04 76.53 0.23 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.163 -0.472 . . . . 0.0 111.188 -179.603 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 122' ' ' TYR . . . . . 0.483 ' HB2' ' HB ' ' B' ' 98' ' ' ILE . 40.5 m-85 -59.58 106.86 0.51 Allowed 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.233 174.488 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 123' ' ' ARG . . . . . . . . . . . . . 14.8 tpt180 -78.6 113.66 16.83 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.176 -167.953 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 124' ' ' ILE . . . . . . . . . . . . . 84.9 mt -71.3 121.05 83.16 Favored Pre-proline 0 C--N 1.327 -0.379 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.178 -175.2 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 125' ' ' PRO . . . . . . . . . . . . . 78.1 Cg_exo -50.96 143.44 30.79 Favored 'Trans proline' 0 C--N 1.327 -0.554 0 C-N-CA 121.772 1.648 . . . . 0.0 111.178 174.227 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 126' ' ' ALA . . . . . . . . . . . . . . . -62.6 -13.68 34.17 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.102 -176.034 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 127' ' ' ASP . . . . . . . . . . . . . 83.3 m-20 -99.3 13.92 31.41 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.216 -177.39 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 128' ' ' VAL . . . . . . . . . . . . . 82.6 t -121.57 133.8 66.9 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.174 -179.293 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 129' ' ' ASP . . . . . . . . . . . . . 64.0 t0 -83.94 119.33 73.3 Favored Pre-proline 0 C--N 1.328 -0.352 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.161 178.541 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 130' ' ' PRO . . . . . 0.427 ' HA ' HD12 ' B' ' 133' ' ' ILE . 47.3 Cg_endo -70.52 -14.37 33.61 Favored 'Trans proline' 0 N--CA 1.458 -0.598 0 C-N-CA 121.707 1.605 . . . . 0.0 111.27 -174.751 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 131' ' ' LEU . . . . . . . . . . . . . 95.7 mt -88.53 -1.23 57.94 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.258 -178.83 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 132' ' ' THR . . . . . . . . . . . . . 74.7 p -110.55 4.12 20.07 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.175 -178.796 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 133' ' ' ILE . . . . . 0.465 ' HA ' ' HA3' ' B' ' 147' ' ' GLY . 88.3 mt -95.17 121.89 46.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.223 -173.681 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 134' ' ' THR . . . . . . . . . . . . . 55.9 p -107.77 172.77 6.64 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.215 176.734 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 135' ' ' SER . . . . . . . . . . . . . 34.7 t -150.03 140.29 22.22 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.231 -177.797 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 136' ' ' SER . . . . . . . . . . . . . 89.0 p -148.53 156.24 42.18 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.277 -0.42 . . . . 0.0 111.202 179.173 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 137' ' ' LEU . . . . . . . . . . . . . 66.1 tp -134.22 119.46 18.81 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.257 -177.352 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 138' ' ' SER . . . . . . . . . . . . . 60.2 p -78.8 167.29 21.4 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.314 -0.403 . . . . 0.0 111.214 -178.88 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 139' ' ' SER . . . . . . . . . . . . . 86.6 p -70.16 -17.61 63.18 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.24 176.545 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 140' ' ' ASP . . . . . . . . . . . . . 93.4 m-20 -82.92 -10.12 58.97 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.174 177.046 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 141' ' ' GLY . . . . . . . . . . . . . . . 94.55 19.06 33.38 Favored Glycine 0 CA--C 1.522 0.479 0 N-CA-C 111.252 -0.739 . . . . 0.0 111.252 177.277 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 142' ' ' VAL . . . . . . . . . . . . . 67.9 t -84.48 101.68 9.37 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.23 0 CA-C-O 120.69 0.281 . . . . 0.0 111.172 178.328 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 143' ' ' LEU . . . . . . . . . . . . . 60.1 tp -92.3 117.72 30.17 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.23 -179.348 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 144' ' ' THR . . . . . . . . . . . . . 98.7 m -121.66 126.89 50.07 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.267 -175.058 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 145' ' ' VAL . . . . . . . . . . . . . 48.6 t -128.24 121.57 56.01 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 116.335 -0.393 . . . . 0.0 111.235 177.358 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 146' ' ' ASP . . . . . . . . . . . . . 61.8 t0 -153.0 123.37 7.15 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.297 -0.41 . . . . 0.0 111.279 -162.703 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 147' ' ' GLY . . . . . 0.465 ' HA3' ' HA ' ' B' ' 133' ' ' ILE . . . -139.82 131.22 5.04 Favored Glycine 0 CA--C 1.524 0.631 0 N-CA-C 111.189 -0.765 . . . . 0.0 111.189 174.982 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 148' ' ' PRO . . . . . . . . . . . . . 74.9 Cg_exo -54.23 146.35 50.38 Favored 'Trans proline' 0 N--CA 1.457 -0.627 0 C-N-CA 121.622 1.548 . . . . 0.0 111.172 177.614 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 149' ' ' ARG . . . . . . . . . . . . . 81.9 mtp180 . . . . . 0 C--N 1.328 -0.35 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.232 -179.571 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.522 0.489 0 N-CA-C 111.231 -0.747 . . . . 0.0 111.231 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 99.4 mt -102.92 15.19 30.09 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.79 0.329 . . . . 0.0 111.244 179.348 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 79.3 p -141.58 27.22 1.88 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.267 175.99 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 89.2 tt0 -104.74 133.63 49.25 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.22 -168.959 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 68' ' ' MET . . . . . . . . . . . . . 64.9 ttp -102.36 132.72 48.17 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.162 166.934 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 55.3 ttp180 -158.54 128.41 5.86 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.067 -0.515 . . . . 0.0 111.212 178.447 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 65.6 tp -77.68 109.49 11.71 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.322 -0.399 . . . . 0.0 111.136 166.293 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 71' ' ' GLU . . . . . 0.482 ' O ' ' C ' ' A' ' 72' ' ' LYS . 79.5 mm-40 -68.99 -179.25 1.43 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.101 -0.5 . . . . 0.0 111.235 179.075 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 72' ' ' LYS . . . . . 0.482 ' C ' ' O ' ' A' ' 71' ' ' GLU . 87.9 tttt -29.53 -59.97 0.15 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.123 177.588 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 57.6 p-10 -146.45 46.41 1.21 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.2 176.331 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 74' ' ' ARG . . . . . 0.428 ' HA ' ' HA ' ' A' ' 148' ' ' PRO . 79.2 ttt180 -160.49 127.7 4.36 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.227 -175.732 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 75' ' ' PHE . . . . . . . . . . . . . 37.7 t80 -96.46 117.98 32.02 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.154 -177.937 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 90.1 p -132.81 147.92 52.31 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.217 -177.708 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 77' ' ' VAL . . . . . 0.491 ' O ' ' HA ' ' A' ' 144' ' ' THR . 87.9 t -139.95 136.36 38.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.162 179.256 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 93.6 m-20 -105.56 147.09 28.78 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.207 166.053 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 79' ' ' LEU . . . . . 0.476 ' HB2' ' HB3' ' A' ' 143' ' ' LEU . 73.7 mt -143.14 146.27 33.58 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.206 -173.231 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 58.8 t0 -82.02 113.26 19.78 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.247 -178.811 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 81' ' ' VAL . . . . . 0.741 ' O ' HG12 ' A' ' 81' ' ' VAL . 62.0 t -134.39 45.65 0.48 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.102 170.535 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 82' ' ' LYS . . . . . 0.47 ' HA ' ' HA3' ' A' ' 141' ' ' GLY . 98.5 mttt -78.17 -28.93 48.37 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.158 -165.8 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 41.8 m80 -121.34 3.69 10.29 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.288 -0.415 . . . . 0.0 111.167 -162.654 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 84' ' ' PHE . . . . . 0.442 ' CD1' ' HB2' ' A' ' 104' ' ' HIS . 40.8 p90 -146.31 -179.18 6.56 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.202 177.342 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 85' ' ' SER . . . . . 0.469 ' HB3' ' HD2' ' A' ' 86' ' ' PRO . 69.4 m -128.76 166.92 21.45 Favored Pre-proline 0 C--N 1.328 -0.344 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.212 -154.336 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 86' ' ' PRO . . . . . 0.469 ' HD2' ' HB3' ' A' ' 85' ' ' SER . 87.0 Cg_exo -51.96 -30.24 38.76 Favored 'Trans proline' 0 N--CA 1.457 -0.664 0 C-N-CA 121.665 1.577 . . . . 0.0 111.268 177.807 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 99.8 mt-10 -65.91 -34.9 79.18 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.181 -176.952 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 93.7 mt-10 -103.49 -5.79 22.45 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.16 177.675 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 89' ' ' LEU . . . . . 0.458 ' HB3' ' HA ' ' A' ' 86' ' ' PRO . 46.5 tp -94.21 96.74 9.79 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.123 178.835 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 98.8 mttt -95.63 74.57 3.21 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.18 -173.1 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 97.3 t -61.19 102.68 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.128 174.729 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 99.1 mttt -118.83 150.85 39.13 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.223 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 35.2 m -129.12 152.62 37.47 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.207 171.372 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 94' ' ' LEU . . . . . 0.48 ' HB2' ' HB ' ' A' ' 97' ' ' VAL . 75.5 mt -133.28 74.35 1.56 Allowed 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.233 179.175 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 81.16 -104.64 2.37 Favored Glycine 0 CA--C 1.523 0.593 0 N-CA-C 111.183 -0.767 . . . . 0.0 111.183 179.925 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 48.5 p-10 -97.57 29.86 3.14 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 120.84 0.352 . . . . 0.0 111.163 171.041 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 97' ' ' VAL . . . . . 0.48 ' HB ' ' HB2' ' A' ' 94' ' ' LEU . 99.7 t -124.32 139.85 49.41 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.379 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.253 -177.153 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 98' ' ' ILE . . . . . . . . . . . . . 63.8 mt -118.57 92.74 2.23 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.385 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.13 175.924 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 99' ' ' GLU . . . . . 0.469 ' HA ' ' HA ' ' A' ' 121' ' ' LYS . 84.5 tt0 -97.64 87.83 4.18 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.191 179.555 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 100' ' ' VAL . . . . . 0.505 ' HB ' ' HB2' ' A' ' 120' ' ' ARG . 58.7 t -77.98 73.18 0.55 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.188 176.193 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 101' ' ' HIS . . . . . 0.626 ' O ' ' ND1' ' A' ' 101' ' ' HIS . 15.7 t-80 -60.78 75.66 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.128 175.313 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 102' ' ' GLY . . . . . 0.42 ' N ' ' O ' ' A' ' 100' ' ' VAL . . . -66.87 170.25 33.25 Favored Glycine 0 CA--C 1.524 0.638 0 N-CA-C 111.185 -0.766 . . . . 0.0 111.185 172.324 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 103' ' ' LYS . . . . . 0.422 ' HA ' ' HA ' ' A' ' 117' ' ' GLU . 37.9 ttpt -168.91 124.48 0.91 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.752 0.311 . . . . 0.0 111.177 174.596 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 104' ' ' HIS . . . . . 0.442 ' HB2' ' CD1' ' A' ' 84' ' ' PHE . 23.3 t-160 -111.21 108.47 18.13 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.3 163.053 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 91.2 mt-10 -93.53 166.73 12.11 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.164 174.858 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 95.1 mt-10 49.58 60.27 3.91 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.217 -179.646 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 107' ' ' ARG . . . . . 0.491 ' HB3' HG13 ' A' ' 114' ' ' ILE . 55.7 ttt85 -109.84 90.77 3.41 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.305 -0.407 . . . . 0.0 111.189 -173.028 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 108' ' ' GLN . . . . . . . . . . . . . 90.2 mt-30 -60.37 137.3 58.16 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.142 175.927 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 56.1 p30 -154.61 -147.75 0.22 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.246 177.193 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 58.9 mp0 -66.98 -18.69 65.5 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.235 -0.438 . . . . 0.0 111.195 -174.548 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 111' ' ' HIS . . . . . . . . . . . . . 23.5 p-80 -135.14 94.73 3.17 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.119 174.87 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 41.03 -139.37 1.48 Allowed Glycine 0 CA--C 1.524 0.612 0 N-CA-C 111.212 -0.755 . . . . 0.0 111.212 179.954 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 113' ' ' PHE . . . . . . . . . . . . . 66.7 m-85 -86.35 150.15 24.54 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.826 0.346 . . . . 0.0 111.294 -178.444 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 114' ' ' ILE . . . . . 0.491 HG13 ' HB3' ' A' ' 107' ' ' ARG . 34.2 pt -134.35 -161.56 0.28 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.15 161.156 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 115' ' ' SER . . . . . 0.455 ' O ' ' HA ' ' B' ' 118' ' ' PHE . 37.7 t -158.63 143.81 16.32 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.256 168.389 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 116' ' ' ARG . . . . . . . . . . . . . 69.5 mtm180 -111.41 84.34 1.93 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.087 175.986 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 117' ' ' GLU . . . . . 0.423 ' HB3' ' HB3' ' B' ' 117' ' ' GLU . 87.2 tt0 -95.59 117.29 30.17 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.081 -0.509 . . . . 0.0 111.157 179.866 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 118' ' ' PHE . . . . . 0.448 ' HA ' ' O ' ' B' ' 115' ' ' SER . 77.4 m-85 -102.81 157.92 16.62 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.077 -165.813 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 119' ' ' HIS . . . . . . . . . . . . . 79.5 m80 -130.8 66.03 1.53 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.201 164.559 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 120' ' ' ARG . . . . . 0.505 ' HB2' ' HB ' ' A' ' 100' ' ' VAL . 89.2 mtt180 -76.57 73.2 3.28 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.229 -162.592 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 121' ' ' LYS . . . . . 0.469 ' HA ' ' HA ' ' A' ' 99' ' ' GLU . 39.8 ttmt -93.88 96.6 9.83 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.262 -171.329 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 122' ' ' TYR . . . . . . . . . . . . . 41.1 p90 -121.83 145.1 48.4 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.052 -0.522 . . . . 0.0 111.154 173.543 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 123' ' ' ARG . . . . . 0.404 ' HG3' HG22 ' A' ' 97' ' ' VAL . 9.9 mpt_? -94.11 159.51 15.12 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.264 -0.425 . . . . 0.0 111.175 -164.684 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 124' ' ' ILE . . . . . . . . . . . . . 68.1 mt -89.21 127.17 56.29 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.089 177.383 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 125' ' ' PRO . . . . . . . . . . . . . 81.8 Cg_exo -48.87 140.14 23.92 Favored 'Trans proline' 0 C--N 1.328 -0.539 0 C-N-CA 121.734 1.623 . . . . 0.0 111.192 174.024 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . -60.38 -16.43 35.41 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.142 -176.191 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 127' ' ' ASP . . . . . . . . . . . . . 78.0 m-20 -101.55 16.57 25.28 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.264 -0.425 . . . . 0.0 111.231 -177.736 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 128' ' ' VAL . . . . . . . . . . . . . 92.8 t -127.61 133.47 67.62 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.251 -179.569 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 64.8 t0 -85.47 118.43 70.69 Favored Pre-proline 0 C--N 1.328 -0.327 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.196 -176.186 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 130' ' ' PRO . . . . . . . . . . . . . 82.7 Cg_exo -52.62 -33.66 59.84 Favored 'Trans proline' 0 N--CA 1.458 -0.574 0 C-N-CA 121.676 1.584 . . . . 0.0 111.19 179.903 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 131' ' ' LEU . . . . . . . . . . . . . 95.8 mt -72.95 -22.27 60.74 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.197 -173.24 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 132' ' ' THR . . . . . . . . . . . . . 81.4 p -90.7 -4.05 57.03 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.147 -178.395 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 133' ' ' ILE . . . . . 0.424 ' HA ' ' HA3' ' A' ' 147' ' ' GLY . 99.3 mt -88.72 121.48 38.97 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.314 -0.403 . . . . 0.0 111.221 179.488 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 134' ' ' THR . . . . . . . . . . . . . 92.8 m -127.07 134.93 50.18 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.181 -178.805 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 135' ' ' SER . . . . . . . . . . . . . 79.5 p -89.57 159.13 17.35 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.305 -0.407 . . . . 0.0 111.274 178.343 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 136' ' ' SER . . . . . . . . . . . . . 43.4 t -159.47 122.39 3.58 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.224 179.345 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 137' ' ' LEU . . . . . . . . . . . . . 69.1 tp -102.25 120.61 40.76 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.216 -176.099 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 138' ' ' SER . . . . . . . . . . . . . 74.8 p -81.56 167.01 19.74 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.176 -177.227 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 139' ' ' SER . . . . . . . . . . . . . 86.1 p -69.6 -18.97 63.66 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.174 176.847 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 140' ' ' ASP . . . . . . . . . . . . . 91.5 m-20 -83.5 -7.16 59.59 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.168 176.602 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 141' ' ' GLY . . . . . 0.47 ' HA3' ' HA ' ' A' ' 82' ' ' LYS . . . 82.94 45.25 6.77 Favored Glycine 0 CA--C 1.524 0.633 0 N-CA-C 111.155 -0.778 . . . . 0.0 111.155 179.407 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 142' ' ' VAL . . . . . . . . . . . . . 67.6 t -118.83 113.98 43.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-O 120.729 0.3 . . . . 0.0 111.261 171.767 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 143' ' ' LEU . . . . . 0.476 ' HB3' ' HB2' ' A' ' 79' ' ' LEU . 38.1 tp -89.79 117.41 28.61 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.191 179.519 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 144' ' ' THR . . . . . 0.491 ' HA ' ' O ' ' A' ' 77' ' ' VAL . 99.9 m -107.74 109.51 21.1 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.217 -175.929 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 145' ' ' VAL . . . . . . . . . . . . . 62.6 t -106.63 109.54 28.41 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.389 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.246 -179.993 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 146' ' ' ASP . . . . . 0.484 ' C ' ' OD1' ' A' ' 146' ' ' ASP . 23.6 t0 -148.01 119.17 7.75 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.079 -161.54 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 147' ' ' GLY . . . . . 0.424 ' HA3' ' HA ' ' A' ' 133' ' ' ILE . . . -137.12 133.06 6.26 Favored Glycine 0 CA--C 1.525 0.71 0 N-CA-C 111.069 -0.812 . . . . 0.0 111.069 171.067 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 148' ' ' PRO . . . . . 0.428 ' HA ' ' HA ' ' A' ' 74' ' ' ARG . 50.1 Cg_exo -60.05 162.63 16.04 Favored 'Trans proline' 0 N--CA 1.458 -0.6 0 C-N-CA 121.657 1.572 . . . . 0.0 111.275 178.369 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 149' ' ' ARG . . . . . . . . . . . . . 95.8 mtt180 -58.26 168.78 0.97 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.282 -0.417 . . . . 0.0 111.215 179.194 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 150' ' ' LYS . . . . . . . . . . . . . 95.2 mttt -63.99 -27.2 68.96 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.094 167.422 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 151' ' ' GLN . . . . . . . . . . . . . 98.2 mt-30 -63.99 -37.23 86.66 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.187 178.774 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 152' ' ' VAL . . . . . . . . . . . . . 93.6 t . . . . . 0 C--O 1.22 -0.455 0 CA-C-O 118.003 -0.999 . . . . 0.0 111.149 179.973 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' B' B ' 64' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.522 0.498 0 N-CA-C 111.251 -0.74 . . . . 0.0 111.251 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' B' B ' 65' ' ' LEU . . . . . . . . . . . . . 99.3 mt -102.95 15.13 30.24 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.866 0.365 . . . . 0.0 111.273 179.355 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 66' ' ' SER . . . . . . . . . . . . . 79.1 p -141.61 27.25 1.88 Allowed 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.174 176.042 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 67' ' ' GLU . . . . . . . . . . . . . 89.2 tt0 -104.81 133.58 49.4 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.251 -168.942 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 68' ' ' MET . . . . . . . . . . . . . 65.0 ttp -102.25 132.63 48.07 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.291 166.91 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 69' ' ' ARG . . . . . . . . . . . . . 55.4 ttp180 -158.55 128.36 5.83 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.282 178.438 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 70' ' ' LEU . . . . . . . . . . . . . 65.6 tp -77.58 109.49 11.59 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.33 -0.395 . . . . 0.0 111.169 166.374 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 71' ' ' GLU . . . . . 0.476 ' O ' ' C ' ' B' ' 72' ' ' LYS . 79.3 mm-40 -69.06 -179.37 1.5 Allowed 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.214 179.097 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 72' ' ' LYS . . . . . 0.476 ' C ' ' O ' ' B' ' 71' ' ' GLU . 88.0 tttt -29.29 -60.02 0.14 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.17 177.561 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 73' ' ' ASP . . . . . . . . . . . . . 57.6 p-10 -146.53 46.49 1.21 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.114 176.354 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 74' ' ' ARG . . . . . 0.434 ' HA ' ' HA ' ' B' ' 148' ' ' PRO . 79.3 ttt180 -160.56 127.72 4.32 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.175 -175.767 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 75' ' ' PHE . . . . . . . . . . . . . 37.6 t80 -96.43 117.9 31.84 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.257 -178.049 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 76' ' ' SER . . . . . . . . . . . . . 89.8 p -132.73 147.89 52.33 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.121 -177.623 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 77' ' ' VAL . . . . . 0.484 ' O ' ' HA ' ' B' ' 144' ' ' THR . 87.3 t -139.85 136.29 38.82 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.217 179.207 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 78' ' ' ASN . . . . . . . . . . . . . 93.6 m-20 -105.61 147.04 28.89 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.279 -0.418 . . . . 0.0 111.262 166.011 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 79' ' ' LEU . . . . . 0.487 ' HB2' ' HB3' ' B' ' 143' ' ' LEU . 74.0 mt -143.07 146.36 33.73 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.208 -173.132 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 80' ' ' ASP . . . . . . . . . . . . . 58.9 t0 -82.13 113.21 19.83 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.154 -178.746 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 81' ' ' VAL . . . . . 0.732 HG12 ' O ' ' B' ' 81' ' ' VAL . 62.0 t -134.34 45.69 0.48 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.132 170.447 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 82' ' ' LYS . . . . . 0.481 ' HA ' ' HA3' ' B' ' 141' ' ' GLY . 98.5 mttt -78.14 -28.92 48.51 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.182 -165.778 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 83' ' ' HIS . . . . . . . . . . . . . 41.8 m80 -121.37 3.63 10.27 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.163 -162.601 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 84' ' ' PHE . . . . . 0.452 ' CD1' ' HB2' ' B' ' 104' ' ' HIS . 40.8 p90 -146.23 -179.11 6.51 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.192 177.354 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 85' ' ' SER . . . . . 0.453 ' HB3' ' HD2' ' B' ' 86' ' ' PRO . 69.4 m -128.88 166.75 22.79 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.224 -154.272 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 86' ' ' PRO . . . . . 0.454 ' HA ' ' HB3' ' B' ' 89' ' ' LEU . 86.5 Cg_exo -51.75 -30.42 37.56 Favored 'Trans proline' 0 N--CA 1.457 -0.621 0 C-N-CA 121.722 1.614 . . . . 0.0 111.267 177.765 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 87' ' ' GLU . . . . . . . . . . . . . 99.8 mt-10 -65.7 -35.06 79.66 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.092 -0.504 . . . . 0.0 111.186 -176.892 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 88' ' ' GLU . . . . . . . . . . . . . 93.8 mt-10 -103.49 -5.81 22.43 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.13 -0.487 . . . . 0.0 111.122 177.805 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 89' ' ' LEU . . . . . 0.454 ' HB3' ' HA ' ' B' ' 86' ' ' PRO . 46.6 tp -94.16 96.73 9.8 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.175 178.765 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 90' ' ' LYS . . . . . . . . . . . . . 98.8 mttt -95.61 74.6 3.22 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.128 -173.053 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 91' ' ' VAL . . . . . . . . . . . . . 97.6 t -61.27 102.68 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.302 -0.408 . . . . 0.0 111.147 174.758 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 92' ' ' LYS . . . . . . . . . . . . . 99.1 mttt -118.78 150.8 39.19 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.215 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 93' ' ' VAL . . . . . . . . . . . . . 34.9 m -129.02 152.65 37.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.192 171.295 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 94' ' ' LEU . . . . . 0.475 ' HB2' ' HB ' ' B' ' 97' ' ' VAL . 75.5 mt -133.31 74.5 1.57 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.073 -0.512 . . . . 0.0 111.207 179.134 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 95' ' ' GLY . . . . . . . . . . . . . . . 81.04 -104.54 2.35 Favored Glycine 0 CA--C 1.524 0.645 0 N-CA-C 111.219 -0.752 . . . . 0.0 111.219 179.927 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 96' ' ' ASP . . . . . . . . . . . . . 48.4 p-10 -97.64 29.97 3.12 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.704 0.288 . . . . 0.0 111.099 171.026 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 97' ' ' VAL . . . . . 0.475 ' HB ' ' HB2' ' B' ' 94' ' ' LEU . 97.3 t -124.46 139.9 49.34 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.366 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.179 -177.215 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 98' ' ' ILE . . . . . . . . . . . . . 64.0 mt -118.6 92.76 2.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.134 175.926 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 99' ' ' GLU . . . . . 0.476 ' HA ' ' HA ' ' B' ' 121' ' ' LYS . 84.5 tt0 -97.59 87.81 4.18 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.168 179.627 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 100' ' ' VAL . . . . . 0.503 ' HB ' ' HB2' ' B' ' 120' ' ' ARG . 58.7 t -78.04 73.14 0.55 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.381 0 CA-C-N 116.286 -0.415 . . . . 0.0 111.169 176.228 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 101' ' ' HIS . . . . . 0.64 ' O ' ' ND1' ' B' ' 101' ' ' HIS . 15.5 t-80 -60.67 75.53 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.183 175.231 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 102' ' ' GLY . . . . . 0.432 ' N ' ' O ' ' B' ' 100' ' ' VAL . . . -66.7 170.3 32.46 Favored Glycine 0 CA--C 1.523 0.592 0 N-CA-C 111.226 -0.749 . . . . 0.0 111.226 172.305 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 103' ' ' LYS . . . . . 0.429 ' HA ' ' HA ' ' B' ' 117' ' ' GLU . 37.9 ttpt -169.01 124.42 0.89 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.763 0.316 . . . . 0.0 111.151 174.548 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 104' ' ' HIS . . . . . 0.452 ' HB2' ' CD1' ' B' ' 84' ' ' PHE . 23.3 t-160 -111.09 108.34 18.02 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.273 163.094 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 105' ' ' GLU . . . . . . . . . . . . . 91.2 mt-10 -93.53 166.75 12.1 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.272 174.722 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 106' ' ' GLU . . . . . . . . . . . . . 95.0 mt-10 49.62 60.22 3.94 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.229 -179.654 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 107' ' ' ARG . . . . . 0.49 ' HB3' HG13 ' B' ' 114' ' ' ILE . 55.8 ttt85 -109.89 90.86 3.43 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.131 -173.001 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 108' ' ' GLN . . . . . . . . . . . . . 90.2 mt-30 -60.45 137.3 58.17 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.153 175.962 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 109' ' ' ASP . . . . . . . . . . . . . 56.3 p30 -154.5 -147.61 0.22 Allowed 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.174 177.249 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 110' ' ' GLU . . . . . . . . . . . . . 58.9 mp0 -67.16 -18.66 65.37 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.151 -174.544 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 111' ' ' HIS . . . . . . . . . . . . . 23.6 p-80 -135.14 94.58 3.15 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.091 174.916 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 112' ' ' GLY . . . . . . . . . . . . . . . 41.11 -139.38 1.54 Allowed Glycine 0 CA--C 1.523 0.535 0 N-CA-C 111.164 -0.774 . . . . 0.0 111.164 179.892 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 113' ' ' PHE . . . . . . . . . . . . . 66.8 m-85 -86.27 150.22 24.51 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 120.799 0.333 . . . . 0.0 111.294 -178.481 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 114' ' ' ILE . . . . . 0.49 HG13 ' HB3' ' B' ' 107' ' ' ARG . 34.0 pt -134.37 -161.61 0.28 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.169 161.149 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 115' ' ' SER . . . . . 0.448 ' O ' ' HA ' ' A' ' 118' ' ' PHE . 37.6 t -158.61 143.75 16.3 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.267 168.336 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 116' ' ' ARG . . . . . . . . . . . . . 69.4 mtm180 -111.34 84.29 1.92 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.171 175.957 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 117' ' ' GLU . . . . . 0.429 ' HA ' ' HA ' ' B' ' 103' ' ' LYS . 87.3 tt0 -95.44 117.08 29.72 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.079 -0.51 . . . . 0.0 111.278 179.835 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 118' ' ' PHE . . . . . 0.455 ' HA ' ' O ' ' A' ' 115' ' ' SER . 77.4 m-85 -102.68 157.92 16.6 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.284 -0.416 . . . . 0.0 111.144 -165.827 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 119' ' ' HIS . . . . . . . . . . . . . 79.5 m80 -130.87 66.1 1.54 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.136 164.641 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 120' ' ' ARG . . . . . 0.503 ' HB2' ' HB ' ' B' ' 100' ' ' VAL . 89.2 mtt180 -76.6 73.12 3.3 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.253 -162.598 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 121' ' ' LYS . . . . . 0.476 ' HA ' ' HA ' ' B' ' 99' ' ' GLU . 39.8 ttmt -93.85 96.61 9.85 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.099 -171.205 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 122' ' ' TYR . . . . . . . . . . . . . 41.5 p90 -121.76 145.11 48.36 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.195 173.35 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 123' ' ' ARG . . . . . 0.403 ' HG3' HG22 ' B' ' 97' ' ' VAL . 9.9 mpt_? -94.08 159.58 15.09 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.179 -164.733 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 124' ' ' ILE . . . . . . . . . . . . . 67.7 mt -89.24 127.1 56.49 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.178 177.382 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 125' ' ' PRO . . . . . 0.4 ' HB2' HG23 ' B' ' 128' ' ' VAL . 81.2 Cg_exo -48.86 140.18 23.81 Favored 'Trans proline' 0 N--CA 1.459 -0.542 0 C-N-CA 121.686 1.59 . . . . 0.0 111.227 174.097 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 126' ' ' ALA . . . . . . . . . . . . . . . -60.35 -16.35 34.35 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.259 -176.261 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 127' ' ' ASP . . . . . . . . . . . . . 77.9 m-20 -101.63 16.61 25.21 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.196 -177.736 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 128' ' ' VAL . . . . . 0.4 HG23 ' HB2' ' B' ' 125' ' ' PRO . 93.0 t -127.54 133.34 67.97 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.197 -179.48 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 129' ' ' ASP . . . . . . . . . . . . . 64.8 t0 -85.43 118.47 70.78 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.273 -176.361 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 130' ' ' PRO . . . . . . . . . . . . . 80.4 Cg_exo -52.56 -33.75 59.57 Favored 'Trans proline' 0 N--CA 1.458 -0.615 0 C-N-CA 121.638 1.559 . . . . 0.0 111.256 179.879 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 131' ' ' LEU . . . . . . . . . . . . . 95.7 mt -72.91 -22.21 60.78 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.228 -173.229 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 132' ' ' THR . . . . . . . . . . . . . 81.4 p -90.89 -3.85 57.02 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.225 -178.482 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 133' ' ' ILE . . . . . 0.433 ' HA ' ' HA3' ' B' ' 147' ' ' GLY . 99.6 mt -88.8 121.46 39.0 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.224 -0.443 . . . . 0.0 111.196 179.454 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 134' ' ' THR . . . . . . . . . . . . . 92.4 m -127.09 134.89 50.17 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.195 -178.804 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 135' ' ' SER . . . . . . . . . . . . . 79.1 p -89.63 159.13 17.3 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.233 178.392 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 136' ' ' SER . . . . . . . . . . . . . 43.4 t -159.45 122.46 3.6 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.2 179.371 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 137' ' ' LEU . . . . . . . . . . . . . 69.1 tp -102.31 120.5 40.59 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.232 -176.112 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 138' ' ' SER . . . . . . . . . . . . . 74.4 p -81.34 167.08 19.88 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.202 -177.279 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 139' ' ' SER . . . . . . . . . . . . . 86.3 p -69.84 -18.74 63.46 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.182 176.798 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 140' ' ' ASP . . . . . . . . . . . . . 91.5 m-20 -83.64 -7.06 59.58 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.181 176.476 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 141' ' ' GLY . . . . . 0.481 ' HA3' ' HA ' ' B' ' 82' ' ' LYS . . . 82.95 45.21 6.77 Favored Glycine 0 CA--C 1.524 0.628 0 N-CA-C 111.227 -0.749 . . . . 0.0 111.227 179.357 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 142' ' ' VAL . . . . . . . . . . . . . 67.9 t -118.84 113.87 42.99 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-O 120.778 0.323 . . . . 0.0 111.265 171.862 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 143' ' ' LEU . . . . . 0.487 ' HB3' ' HB2' ' B' ' 79' ' ' LEU . 38.0 tp -89.7 117.34 28.5 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.221 179.54 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 144' ' ' THR . . . . . 0.484 ' HA ' ' O ' ' B' ' 77' ' ' VAL . 99.0 m -107.73 109.38 20.95 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.238 -175.842 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 145' ' ' VAL . . . . . . . . . . . . . 61.6 t -106.59 109.47 28.16 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.396 0 CA-C-N 116.326 -0.397 . . . . 0.0 111.261 -179.93 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 146' ' ' ASP . . . . . 0.492 ' OD1' ' C ' ' B' ' 146' ' ' ASP . 23.6 t0 -147.98 119.05 7.69 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.203 -161.569 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 147' ' ' GLY . . . . . 0.433 ' HA3' ' HA ' ' B' ' 133' ' ' ILE . . . -136.99 133.01 6.25 Favored Glycine 0 CA--C 1.523 0.537 0 N-CA-C 111.19 -0.764 . . . . 0.0 111.19 171.131 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 148' ' ' PRO . . . . . 0.434 ' HA ' ' HA ' ' B' ' 74' ' ' ARG . 50.4 Cg_exo -60.04 162.62 16.03 Favored 'Trans proline' 0 N--CA 1.459 -0.52 0 C-N-CA 121.713 1.609 . . . . 0.0 111.249 178.404 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 149' ' ' ARG . . . . . . . . . . . . . 95.8 mtt180 -58.22 168.72 0.98 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.213 179.157 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 150' ' ' LYS . . . . . . . . . . . . . 95.4 mttt -63.95 -27.1 68.9 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.149 167.373 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 151' ' ' GLN . . . . . . . . . . . . . 98.2 mt-30 -64.02 -37.24 86.71 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.214 178.738 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 152' ' ' VAL . . . . . . . . . . . . . 94.5 t . . . . . 0 C--O 1.22 -0.456 0 CA-C-O 117.725 -1.131 . . . . 0.0 111.191 179.957 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.523 0.572 0 N-CA-C 111.22 -0.752 . . . . 0.0 111.22 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 82.9 mt -107.56 160.84 15.37 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.845 0.355 . . . . 0.0 111.171 -179.914 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 66' ' ' SER . . . . . 0.451 ' HB3' ' HB3' ' A' ' 78' ' ' ASN . 47.8 t -98.58 109.05 21.87 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.156 -172.959 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 87.5 tt0 -57.18 140.21 50.28 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.128 175.027 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 68' ' ' MET . . . . . . . . . . . . . 59.2 ttm -37.57 119.52 0.73 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.178 178.4 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 78.9 ttt180 -118.74 117.7 29.62 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.22 -178.101 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 70' ' ' LEU . . . . . 0.412 ' HG ' ' HB3' ' A' ' 75' ' ' PHE . 9.5 mp -81.31 113.26 19.3 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.257 -179.64 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 71' ' ' GLU . . . . . 0.635 ' O ' ' C ' ' A' ' 72' ' ' LYS . 81.4 mm-40 -85.32 178.48 7.46 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.163 170.089 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 72' ' ' LYS . . . . . 0.635 ' C ' ' O ' ' A' ' 71' ' ' GLU . 88.1 tttt -13.4 -70.44 0.01 OUTLIER 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.212 -177.019 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 57.4 p-10 -143.05 44.42 1.56 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.099 -0.5 . . . . 0.0 111.256 178.33 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 79.6 ttt180 -170.82 135.76 1.11 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.058 -0.519 . . . . 0.0 111.162 -175.917 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 75' ' ' PHE . . . . . 0.432 ' CZ ' HG13 ' A' ' 128' ' ' VAL . 39.2 p90 -112.52 159.04 19.19 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.15 -176.823 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 97.5 p -144.27 158.48 43.71 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.06 -0.518 . . . . 0.0 111.234 177.685 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 76.2 t -133.86 144.74 34.81 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.373 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.276 -176.882 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 78' ' ' ASN . . . . . 0.451 ' HB3' ' HB3' ' A' ' 66' ' ' SER . 40.4 t-20 -125.84 103.98 8.08 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.165 176.581 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 81.1 mt -116.02 152.62 33.19 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.141 176.823 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 60.1 t0 -101.93 113.72 27.18 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.184 -178.781 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 20.9 m -132.42 46.24 0.51 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.225 177.379 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 82' ' ' LYS . . . . . 0.405 ' O ' ' HB2' ' A' ' 83' ' ' HIS . 83.8 tttt -79.35 137.92 37.49 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.163 -0.472 . . . . 0.0 111.16 178.699 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 83' ' ' HIS . . . . . 0.405 ' HB2' ' O ' ' A' ' 82' ' ' LYS . 66.7 m-70 72.21 34.26 1.42 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.069 -0.514 . . . . 0.0 111.177 -175.991 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 84' ' ' PHE . . . . . . . . . . . . . 66.1 m-85 -122.84 145.64 48.26 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.27 172.783 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 85' ' ' SER . . . . . 0.426 ' O ' ' N ' ' A' ' 89' ' ' LEU . 74.4 m -109.9 151.0 42.14 Favored Pre-proline 0 C--N 1.327 -0.391 0 CA-C-N 116.288 -0.414 . . . . 0.0 111.252 178.087 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 86' ' ' PRO . . . . . 0.414 ' HD3' ' HA ' ' A' ' 85' ' ' SER . 71.7 Cg_exo -55.39 -26.13 51.66 Favored 'Trans proline' 0 N--CA 1.457 -0.641 0 C-N-CA 121.715 1.61 . . . . 0.0 111.294 179.137 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 99.8 mt-10 -66.72 -26.67 67.11 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.284 -179.766 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 80.6 mm-40 -121.78 -7.49 9.02 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.084 -0.507 . . . . 0.0 111.146 -178.95 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 89' ' ' LEU . . . . . 0.426 ' N ' ' O ' ' A' ' 85' ' ' SER . 64.0 tp -108.06 116.96 32.92 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.15 -175.828 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 98.9 mttt -122.54 146.0 47.81 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.226 -175.11 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 64.2 t -124.86 110.48 25.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.214 172.386 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 87.1 tttt -125.79 147.24 49.47 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.169 -171.517 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 93' ' ' VAL . . . . . 0.413 ' HA ' ' HA ' ' A' ' 98' ' ' ILE . 61.9 t -111.79 116.35 52.33 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.421 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.131 166.097 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 94' ' ' LEU . . . . . 0.452 ' HB3' HG23 ' A' ' 97' ' ' VAL . 68.9 tp -105.94 68.64 0.78 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.123 -0.489 . . . . 0.0 111.234 -172.41 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 79.41 -104.91 2.2 Favored Glycine 0 CA--C 1.523 0.591 0 N-CA-C 111.086 -0.805 . . . . 0.0 111.086 173.125 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 89.4 m-20 -88.21 -5.96 58.1 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 120.831 0.348 . . . . 0.0 111.261 -178.315 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 97' ' ' VAL . . . . . 0.452 HG23 ' HB3' ' A' ' 94' ' ' LEU . 28.9 m -123.11 164.85 20.05 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.171 178.824 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 98' ' ' ILE . . . . . 0.413 ' HA ' ' HA ' ' A' ' 93' ' ' VAL . 91.4 mt -113.78 96.31 4.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.176 175.485 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 86.5 tt0 -83.47 90.15 7.17 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.222 -172.494 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 100' ' ' VAL . . . . . . . . . . . . . 91.8 t -89.05 120.32 37.55 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.228 171.013 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 101' ' ' HIS . . . . . 0.532 ' N ' ' CD2' ' A' ' 101' ' ' HIS . 0.1 OUTLIER -143.62 130.63 20.58 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.17 -165.521 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . -134.25 -173.07 13.03 Favored Glycine 0 CA--C 1.524 0.647 0 N-CA-C 111.164 -0.774 . . . . 0.0 111.164 -171.485 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 103' ' ' LYS . . . . . 0.403 ' HA ' ' O ' ' A' ' 116' ' ' ARG . 87.5 tttt -170.58 120.18 0.57 Allowed 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 120.848 0.356 . . . . 0.0 111.219 172.087 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 104' ' ' HIS . . . . . . . . . . . . . 23.8 t-160 -119.66 111.49 18.11 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.358 -0.383 . . . . 0.0 111.16 170.851 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 99.8 mt-10 -81.18 -59.06 2.79 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.195 -166.443 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 106' ' ' GLU . . . . . 0.435 ' HA ' ' CD1' ' A' ' 113' ' ' PHE . 98.1 mt-10 -90.12 86.79 6.65 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.185 176.998 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 107' ' ' ARG . . . . . 0.503 ' HB3' HG13 ' A' ' 114' ' ' ILE . 59.7 ttt85 -122.7 85.32 2.4 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.133 -174.4 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 108' ' ' GLN . . . . . . . . . . . . . 68.6 tp60 -44.58 123.31 3.55 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.181 177.632 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 9.6 t0 -133.81 -157.87 0.84 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.2 -177.595 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 92.4 mt-10 -67.71 -31.74 71.89 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.18 177.705 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 111' ' ' HIS . . . . . . . . . . . . . 68.7 m80 -119.93 87.29 2.72 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.076 179.398 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 66.08 -133.47 33.99 Favored Glycine 0 CA--C 1.525 0.66 0 N-CA-C 111.143 -0.783 . . . . 0.0 111.143 -176.273 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 113' ' ' PHE . . . . . 0.435 ' CD1' ' HA ' ' A' ' 106' ' ' GLU . 22.9 p90 -118.96 148.62 42.76 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.71 0.291 . . . . 0.0 111.355 166.96 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 114' ' ' ILE . . . . . 0.503 HG13 ' HB3' ' A' ' 107' ' ' ARG . 45.6 pt -110.87 152.23 12.88 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.37 0 CA-C-N 116.311 -0.404 . . . . 0.0 111.175 -176.233 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 115' ' ' SER . . . . . 0.407 ' HB3' ' HB2' ' B' ' 119' ' ' HIS . 41.0 t -123.03 95.29 4.56 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.235 -0.438 . . . . 0.0 111.194 175.239 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 116' ' ' ARG . . . . . 0.403 ' O ' ' HA ' ' A' ' 103' ' ' LYS . 97.0 mtt180 -107.47 117.78 34.98 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.222 -171.843 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 88.9 tt0 -98.62 120.97 39.95 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.22 172.266 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 118' ' ' PHE . . . . . . . . . . . . . 91.9 m-85 -104.39 143.11 33.44 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.218 -166.029 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 119' ' ' HIS . . . . . 0.42 ' HB2' ' HB3' ' B' ' 115' ' ' SER . 49.0 m80 -133.85 156.39 48.16 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.304 -0.407 . . . . 0.0 111.252 155.599 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 120' ' ' ARG . . . . . 0.538 ' CG ' ' O ' ' A' ' 120' ' ' ARG . 13.3 ptp180 -155.64 104.39 2.35 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.172 168.225 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 121' ' ' LYS . . . . . . . . . . . . . 93.6 mttt -90.47 89.53 7.61 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.225 -179.377 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 122' ' ' TYR . . . . . . . . . . . . . 80.1 t80 -88.57 122.97 32.6 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.226 -174.775 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 123' ' ' ARG . . . . . . . . . . . . . 1.5 mpp_? -73.34 138.95 45.68 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.154 -170.55 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 124' ' ' ILE . . . . . . . . . . . . . 84.7 mt -91.34 115.13 63.81 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.298 -173.539 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 125' ' ' PRO . . . . . . . . . . . . . 52.1 Cg_exo -55.44 154.88 22.58 Favored 'Trans proline' 0 N--CA 1.459 -0.534 0 C-N-CA 121.655 1.57 . . . . 0.0 111.218 171.867 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . -64.8 -11.95 42.53 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.232 179.065 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 127' ' ' ASP . . . . . . . . . . . . . 78.9 m-20 -103.06 12.24 36.2 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.101 -0.5 . . . . 0.0 111.135 -179.393 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 128' ' ' VAL . . . . . 0.432 HG13 ' CZ ' ' A' ' 75' ' ' PHE . 54.7 t -122.03 138.6 51.74 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.396 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.268 -177.456 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 65.2 t0 -132.09 115.34 15.26 Favored Pre-proline 0 C--N 1.328 -0.357 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.186 -175.667 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 130' ' ' PRO . . . . . . . . . . . . . 90.1 Cg_endo -81.31 5.27 6.37 Favored 'Trans proline' 0 N--CA 1.458 -0.6 0 C-N-CA 121.616 1.544 . . . . 0.0 111.125 -173.826 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 131' ' ' LEU . . . . . . . . . . . . . 94.0 mt -99.12 3.24 46.57 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.175 173.204 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 132' ' ' THR . . . . . . . . . . . . . 69.6 p -114.49 8.37 16.45 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.207 -179.542 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 133' ' ' ILE . . . . . . . . . . . . . 43.3 pt -101.58 153.02 5.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.129 -170.49 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 134' ' ' THR . . . . . . . . . . . . . 62.7 m -134.29 91.29 2.78 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.216 172.475 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 135' ' ' SER . . . . . . . . . . . . . 76.9 p -65.16 157.34 29.0 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.224 179.562 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 136' ' ' SER . . . . . . . . . . . . . 43.3 t -171.67 146.95 2.22 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.216 -176.855 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 137' ' ' LEU . . . . . . . . . . . . . 7.2 mp -103.55 134.14 47.4 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.183 178.944 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 138' ' ' SER . . . . . . . . . . . . . 53.2 p -81.24 176.61 9.61 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.229 178.562 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 139' ' ' SER . . . . . . . . . . . . . 87.3 p -68.43 -16.12 63.79 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.189 175.334 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 140' ' ' ASP . . . . . . . . . . . . . 85.3 m-20 -95.92 -1.51 49.1 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.229 178.006 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 141' ' ' GLY . . . . . . . . . . . . . . . 83.07 33.88 22.48 Favored Glycine 0 CA--C 1.523 0.548 0 N-CA-C 111.277 -0.729 . . . . 0.0 111.277 178.699 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 142' ' ' VAL . . . . . . . . . . . . . 98.2 t -99.7 116.04 42.02 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-O 120.885 0.374 . . . . 0.0 111.114 178.847 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 143' ' ' LEU . . . . . . . . . . . . . 64.7 tp -78.92 121.5 24.96 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.176 176.866 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 144' ' ' THR . . . . . . . . . . . . . 87.0 m -119.36 96.08 5.06 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.212 -175.502 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 145' ' ' VAL . . . . . . . . . . . . . 65.0 t -91.22 118.41 36.46 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.369 0 CA-C-N 116.291 -0.413 . . . . 0.0 111.207 174.181 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 146' ' ' ASP . . . . . . . . . . . . . 3.6 p30 -151.1 142.08 23.0 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.182 -171.078 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 147' ' ' GLY . . . . . . . . . . . . . . . -171.54 151.99 16.68 Favored Glycine 0 CA--C 1.522 0.53 0 N-CA-C 111.228 -0.749 . . . . 0.0 111.228 -176.502 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 148' ' ' PRO . . . . . . . . . . . . . 76.1 Cg_exo -54.56 151.89 29.27 Favored 'Trans proline' 0 N--CA 1.458 -0.601 0 C-N-CA 121.724 1.616 . . . . 0.0 111.231 175.973 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 149' ' ' ARG . . . . . . . . . . . . . 98.4 mtt180 -57.3 166.74 1.09 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.213 -179.436 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 150' ' ' LYS . . . . . . . . . . . . . 83.1 tttt -67.69 -29.75 69.1 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.206 174.537 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 151' ' ' GLN . . . . . . . . . . . . . 83.5 mt-30 -62.29 -34.1 75.92 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.209 177.094 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 152' ' ' VAL . . . . . . . . . . . . . 88.1 t . . . . . 0 C--O 1.218 -0.58 0 CA-C-O 118.207 -0.901 . . . . 0.0 111.211 179.736 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' B' B ' 64' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.523 0.56 0 N-CA-C 111.272 -0.731 . . . . 0.0 111.272 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' B' B ' 65' ' ' LEU . . . . . . . . . . . . . 83.6 mt -107.55 160.75 15.44 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 120.82 0.343 . . . . 0.0 111.187 -179.906 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 66' ' ' SER . . . . . 0.438 ' HB3' ' HB3' ' B' ' 78' ' ' ASN . 47.9 t -98.6 109.06 21.88 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.197 -172.999 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 67' ' ' GLU . . . . . . . . . . . . . 87.4 tt0 -57.17 140.11 50.56 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.147 175.072 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 68' ' ' MET . . . . . . . . . . . . . 59.2 ttm -37.57 119.48 0.73 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.176 178.506 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 69' ' ' ARG . . . . . . . . . . . . . 78.9 ttt180 -118.74 117.78 29.82 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.16 -178.052 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 70' ' ' LEU . . . . . 0.41 ' HG ' ' HB3' ' B' ' 75' ' ' PHE . 9.5 mp -81.38 113.24 19.34 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.258 -179.681 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 71' ' ' GLU . . . . . 0.617 ' O ' ' C ' ' B' ' 72' ' ' LYS . 81.4 mm-40 -85.25 178.52 7.46 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.163 -0.472 . . . . 0.0 111.186 169.997 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 72' ' ' LYS . . . . . 0.617 ' C ' ' O ' ' B' ' 71' ' ' GLU . 88.1 tttt -13.6 -70.43 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.181 -176.883 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 73' ' ' ASP . . . . . . . . . . . . . 57.4 p-10 -142.83 44.4 1.59 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.284 -0.416 . . . . 0.0 111.278 178.326 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 74' ' ' ARG . . . . . . . . . . . . . 79.7 ttt180 -170.88 135.59 1.07 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.216 -175.767 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 75' ' ' PHE . . . . . 0.419 ' CZ ' HG13 ' B' ' 128' ' ' VAL . 39.3 p90 -112.36 159.08 19.04 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.201 -176.741 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 76' ' ' SER . . . . . . . . . . . . . 97.5 p -144.3 158.48 43.71 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.283 177.587 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 77' ' ' VAL . . . . . . . . . . . . . 75.6 t -133.85 144.73 34.84 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.17 -176.79 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 78' ' ' ASN . . . . . 0.438 ' HB3' ' HB3' ' B' ' 66' ' ' SER . 40.3 t-20 -125.84 103.97 8.07 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.324 176.414 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 79' ' ' LEU . . . . . . . . . . . . . 80.9 mt -115.97 152.52 33.34 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.223 176.888 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 80' ' ' ASP . . . . . . . . . . . . . 60.3 t0 -101.92 113.66 27.08 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.213 -178.787 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 81' ' ' VAL . . . . . . . . . . . . . 20.3 m -132.34 46.25 0.51 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.235 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.259 177.389 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 82' ' ' LYS . . . . . 0.416 ' O ' ' HB2' ' B' ' 83' ' ' HIS . 83.9 tttt -79.38 137.94 37.48 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.139 178.735 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 83' ' ' HIS . . . . . 0.416 ' HB2' ' O ' ' B' ' 82' ' ' LYS . 67.3 m-70 72.25 34.24 1.41 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.152 -176.072 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 84' ' ' PHE . . . . . 0.406 ' HB3' ' HB2' ' B' ' 89' ' ' LEU . 65.8 m-85 -122.88 145.59 48.32 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.298 172.737 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 85' ' ' SER . . . . . 0.413 ' O ' ' N ' ' B' ' 89' ' ' LEU . 74.2 m -109.82 151.07 42.14 Favored Pre-proline 0 C--N 1.328 -0.362 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.252 178.152 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 86' ' ' PRO . . . . . . . . . . . . . 72.1 Cg_exo -55.41 -26.2 52.19 Favored 'Trans proline' 0 N--CA 1.457 -0.622 0 C-N-CA 121.77 1.647 . . . . 0.0 111.197 179.158 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 87' ' ' GLU . . . . . . . . . . . . . 99.8 mt-10 -66.83 -26.51 66.96 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.251 -179.77 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 88' ' ' GLU . . . . . . . . . . . . . 80.7 mm-40 -121.84 -7.46 8.99 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.155 -179.019 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 89' ' ' LEU . . . . . 0.413 ' N ' ' O ' ' B' ' 85' ' ' SER . 64.3 tp -108.13 116.99 32.99 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.147 -175.859 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 90' ' ' LYS . . . . . . . . . . . . . 98.9 mttt -122.54 145.97 47.84 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.22 -175.007 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 91' ' ' VAL . . . . . . . . . . . . . 64.0 t -124.85 110.39 24.78 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.367 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.243 172.411 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 92' ' ' LYS . . . . . . . . . . . . . 87.1 tttt -125.73 147.3 49.42 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.139 -171.524 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 93' ' ' VAL . . . . . 0.41 ' HA ' ' HA ' ' B' ' 98' ' ' ILE . 61.5 t -111.78 116.35 52.3 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.187 166.069 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 94' ' ' LEU . . . . . 0.441 ' HB3' HG23 ' B' ' 97' ' ' VAL . 68.9 tp -105.97 68.63 0.78 Allowed 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.152 -172.352 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 95' ' ' GLY . . . . . . . . . . . . . . . 79.34 -104.69 2.17 Favored Glycine 0 CA--C 1.523 0.542 0 N-CA-C 111.202 -0.759 . . . . 0.0 111.202 173.13 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 96' ' ' ASP . . . . . . . . . . . . . 89.1 m-20 -88.3 -6.04 58.0 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-O 120.757 0.313 . . . . 0.0 111.159 -178.36 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 97' ' ' VAL . . . . . 0.441 HG23 ' HB3' ' B' ' 94' ' ' LEU . 27.7 m -123.13 164.96 19.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.303 -0.408 . . . . 0.0 111.182 178.771 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 98' ' ' ILE . . . . . 0.41 ' HA ' ' HA ' ' B' ' 93' ' ' VAL . 91.2 mt -113.84 96.41 4.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.176 175.499 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 99' ' ' GLU . . . . . . . . . . . . . 86.4 tt0 -83.49 90.0 7.15 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.181 -172.408 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 100' ' ' VAL . . . . . . . . . . . . . 92.7 t -89.0 120.35 37.53 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.31 170.977 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 101' ' ' HIS . . . . . 0.549 ' CD2' ' N ' ' B' ' 101' ' ' HIS . 0.1 OUTLIER -143.55 130.47 20.49 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.23 -165.393 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' B' B ' 102' ' ' GLY . . . . . . . . . . . . . . . -134.18 -173.17 13.07 Favored Glycine 0 CA--C 1.523 0.564 0 N-CA-C 111.259 -0.736 . . . . 0.0 111.259 -171.551 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 103' ' ' LYS . . . . . 0.404 ' HA ' ' O ' ' B' ' 116' ' ' ARG . 87.5 tttt -170.53 120.19 0.57 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.738 0.304 . . . . 0.0 111.185 171.996 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 104' ' ' HIS . . . . . . . . . . . . . 23.8 t-160 -119.61 111.61 18.28 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.253 170.783 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 105' ' ' GLU . . . . . . . . . . . . . 99.8 mt-10 -81.36 -58.89 2.84 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.298 -0.41 . . . . 0.0 111.211 -166.399 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 106' ' ' GLU . . . . . 0.434 ' HA ' ' CD1' ' B' ' 113' ' ' PHE . 98.1 mt-10 -90.17 86.93 6.67 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.159 176.962 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 107' ' ' ARG . . . . . 0.508 ' HB3' HG13 ' B' ' 114' ' ' ILE . 59.7 ttt85 -122.75 85.21 2.38 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.138 -174.42 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 108' ' ' GLN . . . . . . . . . . . . . 68.8 tp60 -44.47 123.36 3.53 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.216 177.579 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 109' ' ' ASP . . . . . . . . . . . . . 9.6 t0 -133.85 -157.89 0.84 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.151 -177.595 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 110' ' ' GLU . . . . . . . . . . . . . 92.2 mt-10 -67.73 -31.72 71.84 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.212 177.687 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 111' ' ' HIS . . . . . . . . . . . . . 68.0 m80 -119.87 87.15 2.69 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.219 179.29 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 112' ' ' GLY . . . . . . . . . . . . . . . 66.18 -133.47 33.72 Favored Glycine 0 CA--C 1.524 0.636 0 N-CA-C 111.09 -0.804 . . . . 0.0 111.09 -176.302 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 113' ' ' PHE . . . . . 0.434 ' CD1' ' HA ' ' B' ' 106' ' ' GLU . 23.0 p90 -118.95 148.66 42.71 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.742 0.305 . . . . 0.0 111.242 166.96 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 114' ' ' ILE . . . . . 0.508 HG13 ' HB3' ' B' ' 107' ' ' ARG . 45.7 pt -110.88 152.3 12.88 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.398 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.168 -176.324 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 115' ' ' SER . . . . . 0.42 ' HB3' ' HB2' ' A' ' 119' ' ' HIS . 40.8 t -123.09 95.27 4.54 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.075 -0.512 . . . . 0.0 111.052 175.388 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 116' ' ' ARG . . . . . 0.404 ' O ' ' HA ' ' B' ' 103' ' ' LYS . 97.0 mtt180 -107.47 117.74 34.89 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.227 -171.899 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 117' ' ' GLU . . . . . . . . . . . . . 88.8 tt0 -98.71 121.08 40.19 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.098 172.335 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 118' ' ' PHE . . . . . . . . . . . . . 91.9 m-85 -104.46 143.14 33.42 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.068 -0.515 . . . . 0.0 111.178 -166.055 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 119' ' ' HIS . . . . . 0.409 ' O ' ' HA ' ' A' ' 114' ' ' ILE . 49.1 m80 -133.87 156.27 48.38 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.185 155.707 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 120' ' ' ARG . . . . . 0.549 ' CG ' ' O ' ' B' ' 120' ' ' ARG . 13.3 ptp180 -155.56 104.37 2.36 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.328 168.06 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 121' ' ' LYS . . . . . . . . . . . . . 93.5 mttt -90.37 89.5 7.63 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.3 -179.318 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 122' ' ' TYR . . . . . . . . . . . . . 80.5 t80 -88.47 122.81 32.36 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.327 -174.755 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 123' ' ' ARG . . . . . . . . . . . . . 1.5 mpp_? -73.09 138.91 46.12 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.17 -170.521 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 124' ' ' ILE . . . . . . . . . . . . . 84.8 mt -91.52 115.36 64.33 Favored Pre-proline 0 C--N 1.328 -0.343 0 CA-C-N 116.275 -0.421 . . . . 0.0 111.168 -173.521 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 125' ' ' PRO . . . . . . . . . . . . . 51.8 Cg_exo -55.48 154.93 22.57 Favored 'Trans proline' 0 N--CA 1.459 -0.553 0 C-N-CA 121.747 1.631 . . . . 0.0 111.15 171.916 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 126' ' ' ALA . . . . . . . . . . . . . . . -64.86 -12.01 43.89 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.181 178.999 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 127' ' ' ASP . . . . . . . . . . . . . 78.8 m-20 -103.04 12.18 36.3 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.189 -179.336 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 128' ' ' VAL . . . . . 0.419 HG13 ' CZ ' ' B' ' 75' ' ' PHE . 54.7 t -122.02 138.57 51.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.241 -177.472 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 129' ' ' ASP . . . . . . . . . . . . . 65.1 t0 -132.04 115.31 15.31 Favored Pre-proline 0 C--N 1.327 -0.387 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.28 -175.713 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 130' ' ' PRO . . . . . . . . . . . . . 91.9 Cg_endo -81.28 5.21 6.41 Favored 'Trans proline' 0 N--CA 1.457 -0.643 0 C-N-CA 121.668 1.578 . . . . 0.0 111.171 -173.689 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 131' ' ' LEU . . . . . . . . . . . . . 94.0 mt -98.99 3.1 46.88 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.191 173.197 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 132' ' ' THR . . . . . . . . . . . . . 69.0 p -114.39 8.39 16.59 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.269 -179.553 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 133' ' ' ILE . . . . . . . . . . . . . 43.2 pt -101.63 152.98 5.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.141 -170.525 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 134' ' ' THR . . . . . . . . . . . . . 63.7 m -134.34 91.35 2.78 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.241 172.449 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 135' ' ' SER . . . . . . . . . . . . . 77.3 p -65.26 157.33 29.26 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.187 179.59 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 136' ' ' SER . . . . . . . . . . . . . 43.0 t -171.65 146.98 2.24 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.104 -176.805 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 137' ' ' LEU . . . . . . . . . . . . . 7.2 mp -103.62 134.17 47.41 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.175 178.955 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 138' ' ' SER . . . . . . . . . . . . . 53.1 p -81.32 176.58 9.61 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.275 -0.42 . . . . 0.0 111.204 178.586 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 139' ' ' SER . . . . . . . . . . . . . 87.3 p -68.41 -16.11 63.8 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.151 175.425 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 140' ' ' ASP . . . . . . . . . . . . . 85.3 m-20 -95.85 -1.52 49.32 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.282 177.889 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 141' ' ' GLY . . . . . . . . . . . . . . . 83.15 33.91 22.16 Favored Glycine 0 CA--C 1.523 0.577 0 N-CA-C 111.2 -0.76 . . . . 0.0 111.2 178.612 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 142' ' ' VAL . . . . . . . . . . . . . 99.9 t -99.8 116.15 42.42 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.237 0 CA-C-O 120.858 0.361 . . . . 0.0 111.146 178.791 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 143' ' ' LEU . . . . . . . . . . . . . 64.9 tp -78.93 121.71 25.23 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.127 176.902 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 144' ' ' THR . . . . . . . . . . . . . 85.7 m -119.57 96.05 5.04 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.235 -175.561 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 145' ' ' VAL . . . . . . . . . . . . . 64.6 t -91.15 118.5 36.54 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.271 174.174 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 146' ' ' ASP . . . . . . . . . . . . . 3.6 p30 -151.15 141.98 22.86 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.255 -171.072 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 147' ' ' GLY . . . . . . . . . . . . . . . -171.39 152.04 16.96 Favored Glycine 0 CA--C 1.523 0.558 0 N-CA-C 111.181 -0.767 . . . . 0.0 111.181 -176.436 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 148' ' ' PRO . . . . . . . . . . . . . 76.3 Cg_exo -54.57 151.86 29.39 Favored 'Trans proline' 0 N--CA 1.459 -0.551 0 C-N-CA 121.735 1.624 . . . . 0.0 111.178 175.937 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 149' ' ' ARG . . . . . . . . . . . . . 98.4 mtt180 -57.15 166.56 1.07 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.32 -179.583 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 150' ' ' LYS . . . . . . . . . . . . . 83.2 tttt -67.81 -29.42 68.58 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.323 -0.398 . . . . 0.0 111.306 174.547 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 151' ' ' GLN . . . . . . . . . . . . . 83.5 mt-30 -62.51 -34.07 76.16 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.124 176.996 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 152' ' ' VAL . . . . . . . . . . . . . 88.1 t . . . . . 0 C--O 1.22 -0.455 0 CA-C-O 117.849 -1.072 . . . . 0.0 111.157 179.763 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.523 0.575 0 N-CA-C 111.201 -0.76 . . . . 0.0 111.201 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 90.0 mt -97.97 160.29 14.39 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.828 0.346 . . . . 0.0 111.225 -179.853 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 42.6 t -61.15 133.34 55.88 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.233 -178.104 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 85.6 tt0 -61.55 130.34 45.47 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.206 179.84 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 68' ' ' MET . . . . . . . . . . . . . 27.0 ptm -153.95 159.4 41.68 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.102 178.968 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 79.1 ttt180 -127.75 82.66 2.1 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.177 -178.133 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 70' ' ' LEU . . . . . 0.406 HD12 ' O ' ' A' ' 74' ' ' ARG . 57.9 tp -100.67 112.1 24.45 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.264 173.544 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 91.2 mt-10 -114.56 -149.85 0.45 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.305 -178.883 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 98.5 mttt -73.01 -28.47 62.38 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.2 176.575 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 56.1 p-10 -151.89 33.79 0.54 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.155 179.532 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 74' ' ' ARG . . . . . 0.406 ' O ' HD12 ' A' ' 70' ' ' LEU . 91.3 mmt-85 -135.3 153.74 51.78 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.307 -0.406 . . . . 0.0 111.262 178.876 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 75' ' ' PHE . . . . . . . . . . . . . 57.6 t80 -163.88 119.69 1.63 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.307 -0.406 . . . . 0.0 111.275 175.473 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 40.4 t -146.29 143.65 29.3 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.267 -179.342 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 99.0 t -124.49 121.42 61.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.21 -175.137 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 57.0 t-20 -89.81 113.99 25.64 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.168 175.651 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 63.3 mt -113.2 146.36 39.43 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.246 -176.52 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 67.6 t0 -102.87 107.05 17.75 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.157 -172.178 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 30.4 m -147.55 34.3 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.273 176.012 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 98.7 mttt -65.4 -21.41 66.67 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.114 -168.776 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 73.8 m80 -94.75 0.29 54.84 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.309 -0.405 . . . . 0.0 111.187 -172.853 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 84' ' ' PHE . . . . . . . . . . . . . 13.1 m-85 -107.2 169.22 8.69 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.177 -169.675 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 72.6 m -104.74 157.45 34.14 Favored Pre-proline 0 C--N 1.33 -0.277 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.114 173.065 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 72.6 Cg_exo -54.09 -33.48 74.04 Favored 'Trans proline' 0 N--CA 1.457 -0.628 0 C-N-CA 121.666 1.578 . . . . 0.0 111.232 177.378 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 99.4 mt-10 -78.38 -21.81 48.83 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.207 179.089 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 95.2 mt-10 -85.14 -17.06 38.42 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.16 176.464 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 89' ' ' LEU . . . . . 0.486 ' HA ' HD12 ' A' ' 89' ' ' LEU . 0.0 OUTLIER -96.04 103.92 15.84 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.229 -0.442 . . . . 0.0 111.215 -176.868 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 99.2 mttt -95.19 69.36 3.16 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.222 172.765 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 75.5 t -73.53 109.1 5.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.244 -176.734 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 98.6 mttt -124.95 165.04 18.82 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.197 -170.572 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 33.8 m -127.13 154.49 37.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.236 168.977 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 94' ' ' LEU . . . . . 0.478 ' HB2' ' CG2' ' A' ' 97' ' ' VAL . 82.7 mt -127.85 67.1 1.34 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.169 177.999 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 92.36 -92.78 1.71 Allowed Glycine 0 CA--C 1.524 0.638 0 N-CA-C 111.232 -0.747 . . . . 0.0 111.232 178.097 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 46.3 p-10 -115.91 23.61 12.11 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.798 0.332 . . . . 0.0 111.229 177.615 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 97' ' ' VAL . . . . . 0.478 ' CG2' ' HB2' ' A' ' 94' ' ' LEU . 22.2 m -133.02 165.04 33.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.118 176.225 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 98' ' ' ILE . . . . . . . . . . . . . 64.5 mt -121.9 86.75 1.05 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.126 -174.896 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 39.7 tt0 -74.92 94.03 2.76 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.24 -179.114 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 100' ' ' VAL . . . . . 0.516 ' HB ' ' HB2' ' A' ' 120' ' ' ARG . 46.6 t -81.26 103.41 8.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.297 -0.411 . . . . 0.0 111.276 178.549 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 101' ' ' HIS . . . . . 0.477 ' O ' ' CD2' ' A' ' 101' ' ' HIS . 7.9 t-160 -102.83 64.58 0.87 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.108 -172.523 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . -76.27 153.41 43.04 Favored Glycine 0 CA--C 1.523 0.546 0 N-CA-C 111.166 -0.774 . . . . 0.0 111.166 175.928 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 103' ' ' LYS . . . . . 0.503 ' HA ' ' HA ' ' A' ' 117' ' ' GLU . 86.0 tttt -153.58 114.56 4.09 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.806 0.336 . . . . 0.0 111.156 -170.946 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 104' ' ' HIS . . . . . . . . . . . . . 13.9 m170 -81.71 155.56 25.47 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.293 157.42 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 88.6 tt0 -151.45 132.01 13.9 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.225 170.525 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 95.1 mt-10 58.75 54.63 5.13 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.123 -175.551 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 23.6 ttt180 -114.38 105.98 13.77 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.99 0.424 . . . . 0.0 111.133 -174.913 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 108' ' ' GLN . . . . . . . . . . . . . 65.4 tp60 -66.45 106.73 1.83 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.178 178.467 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 51.6 p-10 -116.54 -147.73 0.42 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.196 176.371 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 15.8 pm0 -66.47 -27.76 68.05 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.338 -177.695 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 111' ' ' HIS . . . . . . . . . . . . . 95.6 m-70 -96.97 -52.19 3.96 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.18 -177.399 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 173.56 -159.01 28.67 Favored Glycine 0 CA--C 1.523 0.573 0 N-CA-C 111.194 -0.763 . . . . 0.0 111.194 -166.711 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 113' ' ' PHE . . . . . 0.442 ' HB2' ' HB3' ' B' ' 121' ' ' LYS . 65.8 m-85 -84.93 96.66 9.42 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.732 0.301 . . . . 0.0 111.244 177.756 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 114' ' ' ILE . . . . . 0.432 HG22 ' HA ' ' B' ' 120' ' ' ARG . 26.7 pt -89.0 164.61 2.18 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.362 0 CA-C-N 116.297 -0.41 . . . . 0.0 111.135 -172.666 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 31.1 t -142.25 92.12 2.4 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.066 -0.516 . . . . 0.0 111.208 164.788 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 116' ' ' ARG . . . . . 0.718 ' O ' ' HG3' ' A' ' 116' ' ' ARG . 32.1 ptt180 -108.72 75.77 0.98 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.185 -164.649 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 117' ' ' GLU . . . . . 0.503 ' HA ' ' HA ' ' A' ' 103' ' ' LYS . 14.0 pt-20 -72.54 148.29 45.13 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.196 175.553 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 118' ' ' PHE . . . . . 0.421 ' HB3' ' HG3' ' A' ' 120' ' ' ARG . 52.5 m-85 -117.08 169.29 9.55 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.238 -174.6 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 119' ' ' HIS . . . . . . . . . . . . . 78.3 m80 -143.46 60.9 1.39 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.225 163.063 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 120' ' ' ARG . . . . . 0.516 ' HB2' ' HB ' ' A' ' 100' ' ' VAL . 96.6 mtt180 -75.93 85.2 2.86 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.202 -165.211 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 121' ' ' LYS . . . . . 0.435 ' HB3' ' HB2' ' B' ' 113' ' ' PHE . 41.3 ttmt -67.12 76.87 0.14 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.169 -177.259 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 122' ' ' TYR . . . . . 0.469 ' CD1' ' C ' ' A' ' 122' ' ' TYR . 1.8 t80 -80.18 104.98 11.11 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.273 -177.848 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 123' ' ' ARG . . . . . . . . . . . . . 57.7 mtm180 -86.9 139.36 30.71 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.216 -158.362 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 124' ' ' ILE . . . . . . . . . . . . . 78.3 mt -90.8 131.03 38.72 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.186 -173.497 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 125' ' ' PRO . . . . . . . . . . . . . 84.1 Cg_exo -49.9 144.48 21.08 Favored 'Trans proline' 0 N--CA 1.458 -0.596 0 C-N-CA 121.709 1.606 . . . . 0.0 111.193 175.508 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . -64.35 -11.63 34.4 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.139 -179.578 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 127' ' ' ASP . . . . . . . . . . . . . 82.4 m-20 -99.4 11.12 40.0 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.303 -0.408 . . . . 0.0 111.234 -179.774 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 128' ' ' VAL . . . . . 0.417 ' HA ' ' HA ' ' A' ' 149' ' ' ARG . 73.9 t -125.37 136.42 60.89 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.246 -178.964 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 59.9 t0 -86.92 117.24 68.36 Favored Pre-proline 0 C--N 1.329 -0.326 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.216 -174.344 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 130' ' ' PRO . . . . . . . . . . . . . 72.2 Cg_endo -76.78 -7.87 17.73 Favored 'Trans proline' 0 N--CA 1.458 -0.563 0 C-N-CA 121.65 1.567 . . . . 0.0 111.238 -173.522 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 131' ' ' LEU . . . . . . . . . . . . . 92.9 mt -99.43 6.27 46.05 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.127 -177.77 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 132' ' ' THR . . . . . . . . . . . . . 66.8 p -123.38 13.05 9.49 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.228 -178.995 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 133' ' ' ILE . . . . . . . . . . . . . 37.7 pt -97.1 146.23 7.84 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.137 -179.572 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 134' ' ' THR . . . . . . . . . . . . . 89.6 m -139.38 97.39 3.27 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.138 -176.838 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 135' ' ' SER . . . . . 0.458 ' HA ' ' HA ' ' A' ' 145' ' ' VAL . 66.3 p -66.56 156.08 35.97 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.273 173.359 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 136' ' ' SER . . . . . . . . . . . . . 97.5 p -164.24 157.9 18.35 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.18 -179.853 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 137' ' ' LEU . . . . . . . . . . . . . 94.2 mt -114.77 152.78 31.52 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.075 -177.411 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 138' ' ' SER . . . . . . . . . . . . . 28.4 p -108.05 -179.52 3.92 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.239 175.813 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 139' ' ' SER . . . . . . . . . . . . . 86.7 p -69.25 -17.22 63.73 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.287 -0.415 . . . . 0.0 111.121 176.036 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 140' ' ' ASP . . . . . . . . . . . . . 85.4 m-20 -97.71 -6.24 33.42 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.053 178.823 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 141' ' ' GLY . . . . . . . . . . . . . . . 88.85 25.33 29.91 Favored Glycine 0 CA--C 1.524 0.619 0 N-CA-C 111.294 -0.722 . . . . 0.0 111.294 -179.761 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 142' ' ' VAL . . . . . . . . . . . . . 98.4 t -81.03 104.17 9.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-O 120.885 0.374 . . . . 0.0 111.147 179.329 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 143' ' ' LEU . . . . . . . . . . . . . 60.4 tp -87.68 120.96 29.52 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.244 178.514 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 144' ' ' THR . . . . . . . . . . . . . 91.0 m -133.52 117.63 17.36 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.299 179.067 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 145' ' ' VAL . . . . . 0.458 ' HA ' ' HA ' ' A' ' 135' ' ' SER . 7.4 p -110.68 135.15 50.67 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.115 174.889 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 146' ' ' ASP . . . . . 0.51 ' OD1' ' O ' ' A' ' 146' ' ' ASP . 20.2 p30 -162.08 143.21 10.67 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.212 -164.977 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 147' ' ' GLY . . . . . 0.434 ' HA2' ' HD3' ' A' ' 148' ' ' PRO . . . -166.36 149.04 14.44 Favored Glycine 0 CA--C 1.522 0.518 0 N-CA-C 111.256 -0.738 . . . . 0.0 111.256 -175.617 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 148' ' ' PRO . . . . . 0.434 ' HD3' ' HA2' ' A' ' 147' ' ' GLY . 88.8 Cg_exo -56.68 147.07 73.32 Favored 'Trans proline' 0 N--CA 1.458 -0.567 0 C-N-CA 121.714 1.609 . . . . 0.0 111.247 -177.416 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 149' ' ' ARG . . . . . 0.417 ' HA ' ' HA ' ' A' ' 128' ' ' VAL . 67.7 mtp180 -59.4 171.64 0.77 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.225 173.338 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 150' ' ' LYS . . . . . . . . . . . . . 97.6 mttt -76.61 -22.95 53.49 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.191 169.117 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 151' ' ' GLN . . . . . . . . . . . . . 99.9 mm-40 -96.08 -1.04 49.49 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.108 179.766 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 152' ' ' VAL . . . . . . . . . . . . . 14.2 p . . . . . 0 C--O 1.22 -0.467 0 CA-C-O 117.862 -1.066 . . . . 0.0 111.179 178.259 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' B' B ' 64' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.524 0.61 0 N-CA-C 111.116 -0.794 . . . . 0.0 111.116 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' B' B ' 65' ' ' LEU . . . . . . . . . . . . . 90.6 mt -97.95 160.35 14.36 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 120.875 0.369 . . . . 0.0 111.131 -179.775 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 66' ' ' SER . . . . . . . . . . . . . 42.2 t -61.29 133.4 55.84 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.157 -178.065 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 67' ' ' GLU . . . . . . . . . . . . . 85.6 tt0 -61.54 130.27 45.17 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.202 179.82 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 68' ' ' MET . . . . . . . . . . . . . 27.0 ptm -153.81 159.49 41.88 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.088 178.958 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 69' ' ' ARG . . . . . . . . . . . . . 79.1 ttt180 -127.78 82.67 2.1 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.112 -178.173 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 70' ' ' LEU . . . . . 0.41 HD12 ' O ' ' B' ' 74' ' ' ARG . 57.5 tp -100.76 112.27 24.64 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.182 173.565 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 71' ' ' GLU . . . . . . . . . . . . . 91.4 mt-10 -114.7 -149.79 0.45 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.162 -178.818 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 72' ' ' LYS . . . . . . . . . . . . . 98.5 mttt -73.08 -28.47 62.31 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.215 176.654 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 73' ' ' ASP . . . . . . . . . . . . . 55.9 p-10 -151.89 33.76 0.54 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.067 -0.515 . . . . 0.0 111.105 179.546 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 74' ' ' ARG . . . . . 0.41 ' O ' HD12 ' B' ' 70' ' ' LEU . 91.3 mmt-85 -135.19 153.76 51.84 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.314 -0.403 . . . . 0.0 111.278 178.735 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 75' ' ' PHE . . . . . 0.404 ' HB3' ' O ' ' B' ' 147' ' ' GLY . 58.2 t80 -163.79 119.82 1.66 Allowed 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.288 175.411 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 76' ' ' SER . . . . . . . . . . . . . 40.4 t -146.37 143.72 29.26 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.119 -179.266 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 77' ' ' VAL . . . . . . . . . . . . . 99.1 t -124.68 121.27 60.96 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.368 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.229 -175.196 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 78' ' ' ASN . . . . . . . . . . . . . 56.8 t-20 -89.64 114.1 25.66 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.086 -0.506 . . . . 0.0 111.198 175.601 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 79' ' ' LEU . . . . . . . . . . . . . 64.0 mt -113.28 146.35 39.52 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.162 -176.523 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 80' ' ' ASP . . . . . . . . . . . . . 67.6 t0 -102.86 107.04 17.74 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.118 -172.161 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 81' ' ' VAL . . . . . . . . . . . . . 30.2 m -147.55 34.17 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.257 176.061 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 82' ' ' LYS . . . . . . . . . . . . . 98.8 mttt -65.23 -21.45 66.75 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.307 -168.837 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 83' ' ' HIS . . . . . . . . . . . . . 73.8 m80 -94.68 0.17 54.84 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.209 -172.839 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 84' ' ' PHE . . . . . . . . . . . . . 13.1 m-85 -107.14 169.22 8.69 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.21 -169.645 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 85' ' ' SER . . . . . . . . . . . . . 73.0 m -104.68 157.35 34.32 Favored Pre-proline 0 C--N 1.328 -0.368 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.231 172.991 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 86' ' ' PRO . . . . . . . . . . . . . 73.6 Cg_exo -54.14 -33.34 73.98 Favored 'Trans proline' 0 N--CA 1.458 -0.588 0 C-N-CA 121.611 1.541 . . . . 0.0 111.24 177.408 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 87' ' ' GLU . . . . . . . . . . . . . 99.4 mt-10 -78.39 -21.86 48.72 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.202 179.012 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 88' ' ' GLU . . . . . . . . . . . . . 95.2 mt-10 -85.1 -17.06 38.49 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.202 176.429 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 89' ' ' LEU . . . . . 0.452 HD12 ' HA ' ' B' ' 89' ' ' LEU . 0.0 OUTLIER -96.07 103.96 15.88 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.142 -176.82 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' B' B ' 90' ' ' LYS . . . . . . . . . . . . . 99.3 mttt -95.29 69.47 3.13 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.285 172.712 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 91' ' ' VAL . . . . . . . . . . . . . 75.2 t -73.47 109.09 5.41 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.367 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.098 -176.604 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 92' ' ' LYS . . . . . . . . . . . . . 98.6 mttt -125.05 165.12 18.75 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.172 -170.712 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 93' ' ' VAL . . . . . . . . . . . . . 33.9 m -127.23 154.53 37.6 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.305 168.901 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 94' ' ' LEU . . . . . 0.468 ' HB2' ' CG2' ' B' ' 97' ' ' VAL . 83.0 mt -127.79 67.26 1.33 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.181 178.045 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 95' ' ' GLY . . . . . . . . . . . . . . . 92.27 -92.79 1.72 Allowed Glycine 0 CA--C 1.522 0.525 0 N-CA-C 111.207 -0.757 . . . . 0.0 111.207 178.078 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 96' ' ' ASP . . . . . . . . . . . . . 46.3 p-10 -115.94 23.61 12.1 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.814 0.34 . . . . 0.0 111.189 177.714 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 97' ' ' VAL . . . . . 0.468 ' CG2' ' HB2' ' B' ' 94' ' ' LEU . 22.2 m -133.11 165.03 33.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.154 176.139 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 98' ' ' ILE . . . . . . . . . . . . . 64.8 mt -121.91 86.88 1.06 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.181 -174.89 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 99' ' ' GLU . . . . . . . . . . . . . 39.7 tt0 -75.02 94.06 2.81 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.245 -179.053 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 100' ' ' VAL . . . . . 0.538 ' HB ' ' HB2' ' B' ' 120' ' ' ARG . 46.8 t -81.31 103.45 8.4 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.396 0 CA-C-N 116.266 -0.424 . . . . 0.0 111.102 178.703 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 101' ' ' HIS . . . . . 0.47 ' O ' ' CD2' ' B' ' 101' ' ' HIS . 7.9 t-160 -102.86 64.6 0.87 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.178 -172.705 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 102' ' ' GLY . . . . . . . . . . . . . . . -76.27 153.39 43.0 Favored Glycine 0 CA--C 1.523 0.564 0 N-CA-C 111.176 -0.769 . . . . 0.0 111.176 175.84 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 103' ' ' LYS . . . . . 0.484 ' HA ' ' HA ' ' B' ' 117' ' ' GLU . 85.9 tttt -153.56 114.59 4.1 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.938 0.399 . . . . 0.0 111.144 -170.915 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 104' ' ' HIS . . . . . . . . . . . . . 13.7 m170 -81.73 155.62 25.42 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.16 157.507 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 105' ' ' GLU . . . . . . . . . . . . . 88.6 tt0 -151.44 132.08 13.96 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.245 170.434 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 106' ' ' GLU . . . . . . . . . . . . . 95.1 mt-10 58.73 54.54 5.21 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.117 -175.587 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 107' ' ' ARG . . . . . . . . . . . . . 23.5 ttt180 -114.13 105.79 13.61 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.255 -0.429 . . . . 0.0 111.222 -174.98 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 108' ' ' GLN . . . . . . . . . . . . . 65.6 tp60 -66.32 106.84 1.81 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.297 178.294 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 109' ' ' ASP . . . . . . . . . . . . . 51.6 p-10 -116.51 -147.77 0.42 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.162 176.419 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 110' ' ' GLU . . . . . . . . . . . . . 15.6 pm0 -66.64 -27.79 67.96 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.069 -0.514 . . . . 0.0 111.173 -177.572 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 111' ' ' HIS . . . . . . . . . . . . . 95.4 m-70 -96.89 -52.22 3.97 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.205 -177.393 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 112' ' ' GLY . . . . . . . . . . . . . . . 173.55 -159.09 28.8 Favored Glycine 0 CA--C 1.524 0.627 0 N-CA-C 111.209 -0.756 . . . . 0.0 111.209 -166.768 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 113' ' ' PHE . . . . . 0.435 ' HB2' ' HB3' ' A' ' 121' ' ' LYS . 66.2 m-85 -84.85 96.72 9.4 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.775 0.322 . . . . 0.0 111.324 177.725 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 114' ' ' ILE . . . . . 0.432 HG22 ' HA ' ' A' ' 120' ' ' ARG . 26.3 pt -88.97 164.62 2.18 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.366 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.174 -172.635 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 115' ' ' SER . . . . . . . . . . . . . 30.9 t -142.29 92.02 2.39 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.159 164.876 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 116' ' ' ARG . . . . . 0.714 ' O ' ' HG3' ' B' ' 116' ' ' ARG . 32.0 ptt180 -108.64 75.72 0.98 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.103 -0.499 . . . . 0.0 111.247 -164.689 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 117' ' ' GLU . . . . . 0.484 ' HA ' ' HA ' ' B' ' 103' ' ' LYS . 13.9 pt-20 -72.66 148.44 44.78 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.198 175.621 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 118' ' ' PHE . . . . . 0.417 ' HB3' ' HG3' ' B' ' 120' ' ' ARG . 52.4 m-85 -117.21 169.24 9.62 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.141 -174.501 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 119' ' ' HIS . . . . . . . . . . . . . 78.1 m80 -143.35 60.87 1.4 Allowed 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.248 163.03 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 120' ' ' ARG . . . . . 0.538 ' HB2' ' HB ' ' B' ' 100' ' ' VAL . 96.7 mtt180 -75.9 85.37 2.84 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.142 -165.24 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 121' ' ' LYS . . . . . 0.442 ' HB3' ' HB2' ' A' ' 113' ' ' PHE . 41.3 ttmt -67.26 76.81 0.15 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.306 -177.328 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 122' ' ' TYR . . . . . 0.461 ' CD1' ' C ' ' B' ' 122' ' ' TYR . 1.8 t80 -80.02 104.91 10.91 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.184 -177.77 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 123' ' ' ARG . . . . . . . . . . . . . 57.8 mtm180 -86.95 139.24 30.8 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.203 -158.478 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 124' ' ' ILE . . . . . . . . . . . . . 78.4 mt -90.68 131.08 38.81 Favored Pre-proline 0 C--N 1.33 -0.249 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.263 -173.526 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 125' ' ' PRO . . . . . . . . . . . . . 83.0 Cg_exo -50.04 144.6 21.59 Favored 'Trans proline' 0 N--CA 1.458 -0.612 0 C-N-CA 121.62 1.546 . . . . 0.0 111.223 175.553 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 126' ' ' ALA . . . . . . . . . . . . . . . -64.39 -11.59 34.41 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.197 -179.51 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 127' ' ' ASP . . . . . . . . . . . . . 82.3 m-20 -99.37 11.13 39.98 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.234 -179.787 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 128' ' ' VAL . . . . . 0.417 HG22 ' HG2' ' B' ' 149' ' ' ARG . 74.9 t -125.33 136.39 60.99 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.38 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.267 -178.875 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 129' ' ' ASP . . . . . . . . . . . . . 60.2 t0 -87.1 117.38 68.54 Favored Pre-proline 0 C--N 1.328 -0.35 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.073 -174.285 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 130' ' ' PRO . . . . . . . . . . . . . 73.4 Cg_endo -76.75 -8.0 17.82 Favored 'Trans proline' 0 N--CA 1.458 -0.604 0 C-N-CA 121.649 1.566 . . . . 0.0 111.227 -173.561 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 131' ' ' LEU . . . . . . . . . . . . . 92.6 mt -99.2 6.0 46.52 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.171 -177.797 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 132' ' ' THR . . . . . . . . . . . . . 67.1 p -123.19 12.99 9.61 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.339 -0.392 . . . . 0.0 111.183 -178.883 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 133' ' ' ILE . . . . . . . . . . . . . 37.5 pt -97.16 146.14 8.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.151 -179.444 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 134' ' ' THR . . . . . . . . . . . . . 87.2 m -139.25 97.25 3.25 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.22 -176.729 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 135' ' ' SER . . . . . 0.463 ' HA ' ' HA ' ' B' ' 145' ' ' VAL . 67.6 p -66.58 156.08 36.02 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.232 173.478 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 136' ' ' SER . . . . . . . . . . . . . 97.6 p -164.2 157.86 18.42 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.124 -179.758 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 137' ' ' LEU . . . . . . . . . . . . . 94.1 mt -114.73 152.75 31.5 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.148 -177.486 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 138' ' ' SER . . . . . . . . . . . . . 28.9 p -108.01 -179.37 3.88 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.22 175.826 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 139' ' ' SER . . . . . . . . . . . . . 86.5 p -69.27 -17.42 63.75 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.14 176.017 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 140' ' ' ASP . . . . . . . . . . . . . 85.3 m-20 -97.51 -6.42 33.72 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.138 178.877 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 141' ' ' GLY . . . . . . . . . . . . . . . 88.89 25.4 29.64 Favored Glycine 0 CA--C 1.524 0.634 0 N-CA-C 111.264 -0.734 . . . . 0.0 111.264 -179.721 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 142' ' ' VAL . . . . . . . . . . . . . 98.4 t -80.94 103.99 8.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-O 120.886 0.374 . . . . 0.0 111.185 179.26 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 143' ' ' LEU . . . . . . . . . . . . . 59.7 tp -87.57 121.16 29.65 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.176 178.55 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 144' ' ' THR . . . . . . . . . . . . . 91.3 m -133.68 117.45 17.0 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.183 179.254 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 145' ' ' VAL . . . . . 0.463 ' HA ' ' HA ' ' B' ' 135' ' ' SER . 7.5 p -110.72 135.15 50.7 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.134 174.853 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 146' ' ' ASP . . . . . 0.515 ' OD1' ' O ' ' B' ' 146' ' ' ASP . 20.2 p30 -162.07 143.21 10.68 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.181 -164.897 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 147' ' ' GLY . . . . . 0.407 ' HA2' ' HD3' ' B' ' 148' ' ' PRO . . . -166.35 149.01 14.37 Favored Glycine 0 CA--C 1.525 0.661 0 N-CA-C 111.158 -0.777 . . . . 0.0 111.158 -175.57 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 148' ' ' PRO . . . . . 0.407 ' HD3' ' HA2' ' B' ' 147' ' ' GLY . 87.0 Cg_exo -56.57 147.22 71.2 Favored 'Trans proline' 0 N--CA 1.459 -0.519 0 C-N-CA 121.59 1.527 . . . . 0.0 111.291 -177.536 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 149' ' ' ARG . . . . . 0.417 ' HG2' HG22 ' B' ' 128' ' ' VAL . 67.6 mtp180 -59.47 171.61 0.79 Allowed 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.24 173.264 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 150' ' ' LYS . . . . . . . . . . . . . 97.7 mttt -76.6 -22.94 53.54 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.325 -0.398 . . . . 0.0 111.238 169.038 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 151' ' ' GLN . . . . . . . . . . . . . 99.9 mm-40 -95.98 -1.18 49.55 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.187 179.722 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 152' ' ' VAL . . . . . . . . . . . . . 14.0 p . . . . . 0 C--O 1.22 -0.47 0 CA-C-O 117.866 -1.064 . . . . 0.0 111.242 178.235 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.523 0.573 0 N-CA-C 111.196 -0.761 . . . . 0.0 111.196 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 95.0 mt -90.14 -15.01 32.45 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.866 0.365 . . . . 0.0 111.257 179.988 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 92.4 p -75.97 160.24 30.06 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.191 179.919 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 79.9 mm-40 -123.61 -8.44 7.96 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.106 -179.176 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 68' ' ' MET . . . . . . . . . . . . . 59.9 ttm -72.89 123.43 23.4 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.318 -0.401 . . . . 0.0 111.236 177.609 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 78.1 ttt180 -121.9 115.08 21.94 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.245 174.996 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 62.7 tp -78.13 105.68 9.51 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.178 178.829 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 71' ' ' GLU . . . . . 0.532 ' O ' ' C ' ' A' ' 72' ' ' LYS . 80.9 mm-40 -70.6 -177.55 1.55 Allowed 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.266 167.023 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 72' ' ' LYS . . . . . 0.532 ' C ' ' O ' ' A' ' 71' ' ' GLU . 88.0 tttt -27.26 -61.66 0.09 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.302 -0.408 . . . . 0.0 111.15 -176.456 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 58.1 p-10 -144.55 44.59 1.4 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.276 -177.595 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 74' ' ' ARG . . . . . 0.416 ' O ' ' N ' ' A' ' 71' ' ' GLU . 20.6 ptp180 -178.57 144.27 0.28 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.158 -178.09 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 75' ' ' PHE . . . . . 0.437 ' CD1' ' C ' ' A' ' 75' ' ' PHE . 7.4 p90 -108.36 155.47 20.5 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.292 -0.413 . . . . 0.0 111.191 -173.016 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 38.1 t -138.2 125.99 22.4 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.197 174.076 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 64.1 t -98.87 109.74 24.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.212 -174.377 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 62.2 t-20 -84.62 85.63 7.4 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.193 -178.809 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 79' ' ' LEU . . . . . 0.408 HD12 ' HG ' ' A' ' 143' ' ' LEU . 74.5 mt -77.83 135.71 37.98 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.257 -172.985 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 66.1 t0 -91.22 117.92 30.03 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.19 -177.938 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 85.5 t -107.33 114.57 46.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.061 -0.518 . . . . 0.0 111.233 176.026 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 88.1 tttt -106.58 93.77 4.77 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.218 -173.738 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 79.8 m-70 61.84 49.93 4.53 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.218 175.035 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 84' ' ' PHE . . . . . 0.434 ' HA ' ' HB2' ' A' ' 104' ' ' HIS . 91.5 m-85 -119.93 149.43 42.13 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.314 172.37 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 85' ' ' SER . . . . . 0.431 ' O ' ' HG ' ' A' ' 89' ' ' LEU . 67.8 m -91.86 137.53 25.32 Favored Pre-proline 0 C--N 1.328 -0.348 0 CA-C-N 116.33 -0.395 . . . . 0.0 111.144 -178.862 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 55.7 Cg_endo -67.9 -15.57 44.0 Favored 'Trans proline' 0 N--CA 1.457 -0.64 0 C-N-CA 121.641 1.561 . . . . 0.0 111.252 179.74 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 99.0 mt-10 -78.43 -15.25 58.86 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.234 172.338 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 73.0 mt-10 -120.58 -4.58 9.79 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.214 -179.119 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 89' ' ' LEU . . . . . 0.431 ' HG ' ' O ' ' A' ' 85' ' ' SER . 91.5 mt -82.36 140.22 33.64 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.14 170.283 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 97.8 mttt -134.62 64.88 1.58 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.125 -0.488 . . . . 0.0 111.125 -179.261 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 13.3 p -60.27 135.35 25.03 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.286 -0.415 . . . . 0.0 111.192 178.411 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 92' ' ' LYS . . . . . 0.412 ' O ' ' N ' ' A' ' 99' ' ' GLU . 86.8 tttt -153.68 156.73 38.4 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.235 -173.013 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 33.7 m -124.42 160.72 28.65 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.214 167.608 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 25.2 tp -144.93 70.67 1.28 Allowed 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.191 177.925 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 82.08 -103.14 2.34 Favored Glycine 0 CA--C 1.523 0.571 0 N-CA-C 111.216 -0.753 . . . . 0.0 111.216 179.714 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 51.2 p-10 -103.44 21.3 16.26 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.849 0.357 . . . . 0.0 111.236 -177.385 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 97' ' ' VAL . . . . . 0.467 ' HA ' ' HA ' ' A' ' 123' ' ' ARG . 33.9 m -131.22 162.32 39.48 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.215 171.748 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 98' ' ' ILE . . . . . . . . . . . . . 63.4 mt -118.08 94.5 3.11 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.38 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.236 172.842 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 99' ' ' GLU . . . . . 0.412 ' N ' ' O ' ' A' ' 92' ' ' LYS . 57.2 mt-10 -72.45 78.81 1.04 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.361 -0.381 . . . . 0.0 111.208 -176.052 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 100' ' ' VAL . . . . . 0.485 ' HB ' ' HB2' ' A' ' 120' ' ' ARG . 47.8 t -76.77 77.92 0.62 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.167 -178.22 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 101' ' ' HIS . . . . . . . . . . . . . 63.5 t-80 -81.59 151.11 27.83 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.058 176.085 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . -179.15 161.05 26.95 Favored Glycine 0 CA--C 1.521 0.461 0 N-CA-C 111.217 -0.753 . . . . 0.0 111.217 177.158 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 103' ' ' LYS . . . . . 0.456 ' HA ' ' O ' ' A' ' 116' ' ' ARG . 64.2 pttt -156.2 151.87 27.14 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-O 120.778 0.323 . . . . 0.0 111.172 176.451 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 104' ' ' HIS . . . . . 0.434 ' HB2' ' HA ' ' A' ' 84' ' ' PHE . 27.0 t-80 -129.59 115.25 17.12 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.284 -0.416 . . . . 0.0 111.19 161.837 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 105' ' ' GLU . . . . . 0.566 ' O ' ' C ' ' A' ' 106' ' ' GLU . 98.2 mt-10 -66.43 -175.52 0.37 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.254 -177.516 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 106' ' ' GLU . . . . . 0.566 ' C ' ' O ' ' A' ' 105' ' ' GLU . 99.3 mt-10 -25.64 116.44 0.06 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.266 -0.425 . . . . 0.0 111.152 -170.964 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 54.1 ttp180 -134.9 74.77 1.54 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.113 -161.574 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 108' ' ' GLN . . . . . . . . . . . . . 73.6 tp60 -45.48 109.44 0.17 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.154 178.28 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 14.3 t0 -164.15 -136.73 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.193 -172.722 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 99.7 mt-10 -46.22 -64.46 0.75 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.252 -178.306 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 111' ' ' HIS . . . . . . . . . . . . . 69.8 m80 -111.43 79.8 1.25 Allowed 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.103 -175.966 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 112' ' ' GLY . . . . . 0.409 ' HA3' ' HA ' ' B' ' 122' ' ' TYR . . . 55.34 -134.1 48.89 Favored Glycine 0 CA--C 1.522 0.529 0 N-CA-C 111.209 -0.757 . . . . 0.0 111.209 -178.483 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 113' ' ' PHE . . . . . 0.486 ' O ' ' N ' ' B' ' 121' ' ' LYS . 97.5 m-85 -89.17 130.07 35.66 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.78 0.324 . . . . 0.0 111.223 172.36 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 114' ' ' ILE . . . . . . . . . . . . . 5.1 mp -118.57 99.24 7.57 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 CA-C-N 116.294 -0.412 . . . . 0.0 111.105 -178.532 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 115' ' ' SER . . . . . 0.426 ' HB3' ' HB3' ' B' ' 119' ' ' HIS . 46.3 t -92.98 94.2 8.77 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.295 174.961 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 116' ' ' ARG . . . . . 0.49 ' HA ' ' HA ' ' B' ' 118' ' ' PHE . 42.4 ttm180 -121.48 104.58 9.77 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.154 -162.724 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 85.9 tt0 -101.74 121.17 41.55 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.166 175.378 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 118' ' ' PHE . . . . . 0.48 ' HA ' ' HA ' ' B' ' 116' ' ' ARG . 39.5 p90 -124.73 165.95 17.04 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.345 -171.821 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 119' ' ' HIS . . . . . 0.432 ' HB3' ' HB3' ' B' ' 115' ' ' SER . 19.1 t-160 -148.12 81.57 1.48 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.183 -179.904 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 120' ' ' ARG . . . . . 0.485 ' HB2' ' HB ' ' A' ' 100' ' ' VAL . 87.5 mtm180 -86.04 82.1 8.23 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.175 -173.82 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 121' ' ' LYS . . . . . 0.477 ' N ' ' O ' ' B' ' 113' ' ' PHE . 41.7 ttmt -68.59 78.93 0.28 Allowed 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.227 -179.038 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 122' ' ' TYR . . . . . 0.403 ' HA ' ' HA3' ' B' ' 112' ' ' GLY . 3.4 t80 -72.55 110.18 6.74 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.291 -176.381 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 123' ' ' ARG . . . . . 0.467 ' HA ' ' HA ' ' A' ' 97' ' ' VAL . 49.8 ttt180 -94.08 143.54 26.27 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.116 -159.341 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 124' ' ' ILE . . . . . 0.411 HG21 ' HB ' ' A' ' 128' ' ' VAL . 13.2 mt -109.95 136.56 20.4 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.194 -176.493 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 125' ' ' PRO . . . . . . . . . . . . . 72.1 Cg_exo -46.24 153.32 1.09 Allowed 'Trans proline' 0 N--CA 1.458 -0.574 0 C-N-CA 121.665 1.577 . . . . 0.0 111.199 165.704 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . -77.41 7.64 5.14 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.106 -167.22 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 127' ' ' ASP . . . . . . . . . . . . . 95.2 m-20 -84.02 -8.23 59.19 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.21 -179.374 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 128' ' ' VAL . . . . . 0.411 ' HB ' HG21 ' A' ' 124' ' ' ILE . 10.6 p -78.71 150.2 5.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.207 -171.462 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 64.7 t0 -101.56 109.84 60.23 Favored Pre-proline 0 C--N 1.327 -0.396 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.194 167.464 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 130' ' ' PRO . . . . . . . . . . . . . 94.2 Cg_exo -55.3 -31.52 77.18 Favored 'Trans proline' 0 N--CA 1.458 -0.608 0 C-N-CA 121.708 1.605 . . . . 0.0 111.242 -173.351 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 131' ' ' LEU . . . . . . . . . . . . . 96.7 mt -82.78 -2.84 55.61 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.169 -169.38 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 132' ' ' THR . . . . . . . . . . . . . 70.9 p -112.85 10.83 19.13 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.269 -179.079 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 133' ' ' ILE . . . . . . . . . . . . . 94.2 mt -90.51 125.27 43.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.224 179.152 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 134' ' ' THR . . . . . . . . . . . . . 92.7 m -125.19 124.85 42.63 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.264 -0.425 . . . . 0.0 111.312 178.538 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 135' ' ' SER . . . . . . . . . . . . . 85.0 p -95.11 163.04 13.46 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.31 -0.404 . . . . 0.0 111.166 178.512 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 136' ' ' SER . . . . . . . . . . . . . 44.5 t -153.61 114.61 4.1 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.152 -0.477 . . . . 0.0 111.202 175.664 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 137' ' ' LEU . . . . . . . . . . . . . 50.1 tp -101.69 110.75 22.8 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.249 -175.671 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 138' ' ' SER . . . . . . . . . . . . . 33.3 t -82.74 143.05 31.15 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.267 171.136 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 139' ' ' SER . . . . . . . . . . . . . 88.5 p -72.46 -10.92 60.39 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.212 179.007 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 140' ' ' ASP . . . . . . . . . . . . . 94.0 m-20 -81.62 -18.23 45.42 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.192 177.971 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 141' ' ' GLY . . . . . . . . . . . . . . . 112.77 11.63 14.14 Favored Glycine 0 CA--C 1.524 0.602 0 N-CA-C 111.326 -0.71 . . . . 0.0 111.326 179.338 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 142' ' ' VAL . . . . . . . . . . . . . 48.9 t -94.76 79.56 1.2 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.241 0 CA-C-O 120.767 0.318 . . . . 0.0 111.259 176.844 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 143' ' ' LEU . . . . . 0.408 ' HG ' HD12 ' A' ' 79' ' ' LEU . 60.0 tp -88.63 124.77 34.39 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.147 176.313 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 144' ' ' THR . . . . . . . . . . . . . 91.5 m -127.37 124.09 37.78 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.176 -177.788 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 145' ' ' VAL . . . . . . . . . . . . . 60.2 t -118.6 118.82 59.2 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.229 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.104 174.728 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 146' ' ' ASP . . . . . 0.434 ' C ' ' OD1' ' A' ' 146' ' ' ASP . 20.7 p30 -134.86 160.89 36.8 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.235 -170.259 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 147' ' ' GLY . . . . . 0.437 ' HA2' ' HD3' ' A' ' 148' ' ' PRO . . . 176.8 133.8 1.87 Allowed Glycine 0 CA--C 1.524 0.647 0 N-CA-C 111.303 -0.719 . . . . 0.0 111.303 -177.983 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 148' ' ' PRO . . . . . 0.437 ' HD3' ' HA2' ' A' ' 147' ' ' GLY . 51.9 Cg_exo -58.83 148.33 84.26 Favored 'Trans proline' 0 N--CA 1.457 -0.665 0 C-N-CA 121.782 1.655 . . . . 0.0 111.161 177.639 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 149' ' ' ARG . . . . . . . . . . . . . 34.9 ptt180 -141.48 174.16 10.82 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.233 173.448 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 150' ' ' LYS . . . . . . . . . . . . . 93.2 mttt -89.06 -0.94 57.85 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.282 -171.218 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 151' ' ' GLN . . . . . . . . . . . . . 73.6 tp60 -57.06 -36.75 70.9 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.16 -176.431 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 152' ' ' VAL . . . . . . . . . . . . . 14.9 p . . . . . 0 C--O 1.221 -0.407 0 CA-C-O 117.79 -1.1 . . . . 0.0 111.03 175.696 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' B' B ' 64' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.522 0.508 0 N-CA-C 111.181 -0.768 . . . . 0.0 111.181 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' B' B ' 65' ' ' LEU . . . . . . . . . . . . . 95.2 mt -90.15 -14.98 32.46 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-O 120.823 0.344 . . . . 0.0 111.237 179.997 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 66' ' ' SER . . . . . . . . . . . . . 92.8 p -75.85 160.44 29.94 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.206 179.916 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 67' ' ' GLU . . . . . . . . . . . . . 79.8 mm-40 -123.79 -8.45 7.86 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.095 -179.184 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 68' ' ' MET . . . . . . . . . . . . . 59.9 ttm -73.04 123.48 23.62 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.222 177.672 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 69' ' ' ARG . . . . . . . . . . . . . 78.2 ttt180 -121.92 115.04 21.86 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.239 175.056 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 70' ' ' LEU . . . . . . . . . . . . . 62.4 tp -78.04 105.84 9.52 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.255 178.761 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 71' ' ' GLU . . . . . 0.533 ' O ' ' C ' ' B' ' 72' ' ' LYS . 80.9 mm-40 -70.79 -177.63 1.64 Allowed 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.244 167.018 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 72' ' ' LYS . . . . . 0.533 ' C ' ' O ' ' B' ' 71' ' ' GLU . 88.0 tttt -27.25 -61.6 0.09 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.192 -176.352 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 73' ' ' ASP . . . . . . . . . . . . . 58.0 p-10 -144.56 44.55 1.39 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.27 -177.555 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 74' ' ' ARG . . . . . . . . . . . . . 20.6 ptp180 -178.58 144.25 0.28 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.195 -178.04 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 75' ' ' PHE . . . . . 0.425 ' CD1' ' C ' ' B' ' 75' ' ' PHE . 7.6 p90 -108.48 155.5 20.54 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.109 -172.985 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 76' ' ' SER . . . . . . . . . . . . . 38.2 t -138.18 126.08 22.55 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.091 -0.504 . . . . 0.0 111.174 174.084 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 77' ' ' VAL . . . . . . . . . . . . . 64.2 t -98.82 109.81 24.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.172 -174.361 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 78' ' ' ASN . . . . . . . . . . . . . 62.2 t-20 -84.74 85.54 7.43 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.254 -178.841 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 79' ' ' LEU . . . . . 0.407 HD12 ' HG ' ' B' ' 143' ' ' LEU . 75.0 mt -77.84 135.65 37.96 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.166 -172.86 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 80' ' ' ASP . . . . . . . . . . . . . 66.0 t0 -91.1 117.66 29.78 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.112 -0.494 . . . . 0.0 111.215 -177.896 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 81' ' ' VAL . . . . . . . . . . . . . 87.3 t -107.11 114.62 46.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.25 175.966 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 82' ' ' LYS . . . . . . . . . . . . . 88.1 tttt -106.54 93.65 4.71 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.244 -173.81 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 83' ' ' HIS . . . . . . . . . . . . . 79.5 m-70 62.01 49.93 4.35 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.149 174.953 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 84' ' ' PHE . . . . . 0.444 ' HA ' ' HB2' ' B' ' 104' ' ' HIS . 91.7 m-85 -120.1 149.41 42.25 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.203 172.344 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 85' ' ' SER . . . . . 0.43 ' O ' ' HG ' ' B' ' 89' ' ' LEU . 67.5 m -91.8 137.47 25.44 Favored Pre-proline 0 C--N 1.33 -0.24 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.129 -178.811 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 86' ' ' PRO . . . . . . . . . . . . . 55.7 Cg_endo -67.82 -15.69 44.5 Favored 'Trans proline' 0 N--CA 1.459 -0.556 0 C-N-CA 121.721 1.614 . . . . 0.0 111.179 179.763 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 87' ' ' GLU . . . . . . . . . . . . . 99.1 mt-10 -78.6 -14.96 59.06 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.278 172.397 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 88' ' ' GLU . . . . . . . . . . . . . 73.4 mt-10 -120.68 -4.56 9.75 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.205 -179.235 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 89' ' ' LEU . . . . . 0.43 ' HG ' ' O ' ' B' ' 85' ' ' SER . 92.0 mt -82.3 140.14 33.76 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.191 170.224 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 90' ' ' LYS . . . . . . . . . . . . . 97.9 mttt -134.68 64.9 1.58 Allowed 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.147 -179.319 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 91' ' ' VAL . . . . . . . . . . . . . 13.1 p -60.05 135.25 24.89 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.242 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.32 178.236 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 92' ' ' LYS . . . . . 0.421 ' O ' ' N ' ' B' ' 99' ' ' GLU . 86.9 tttt -153.64 156.61 38.24 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.223 -172.972 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 93' ' ' VAL . . . . . . . . . . . . . 33.6 m -124.3 160.68 28.41 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.279 -0.419 . . . . 0.0 111.268 167.546 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 94' ' ' LEU . . . . . . . . . . . . . 25.2 tp -144.91 70.68 1.28 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.206 177.824 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 95' ' ' GLY . . . . . . . . . . . . . . . 82.28 -103.23 2.37 Favored Glycine 0 CA--C 1.523 0.571 0 N-CA-C 111.161 -0.775 . . . . 0.0 111.161 179.618 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 96' ' ' ASP . . . . . . . . . . . . . 51.2 p-10 -103.48 21.37 16.16 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.769 0.318 . . . . 0.0 111.174 -177.399 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 97' ' ' VAL . . . . . 0.457 ' HA ' ' HA ' ' B' ' 123' ' ' ARG . 33.9 m -131.23 162.32 39.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.142 171.701 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 98' ' ' ILE . . . . . . . . . . . . . 63.3 mt -118.1 94.5 3.11 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.234 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.276 172.823 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 99' ' ' GLU . . . . . 0.421 ' N ' ' O ' ' B' ' 92' ' ' LYS . 57.1 mt-10 -72.39 78.91 1.02 Allowed 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.18 -176.005 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 100' ' ' VAL . . . . . 0.498 ' HB ' ' HB2' ' B' ' 120' ' ' ARG . 47.9 t -76.84 77.83 0.63 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.368 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.208 -178.223 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 101' ' ' HIS . . . . . . . . . . . . . 63.7 t-80 -81.4 151.15 28.05 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.158 176.064 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 102' ' ' GLY . . . . . 0.402 ' HA2' ' HA ' ' B' ' 89' ' ' LEU . . . -179.24 160.96 26.76 Favored Glycine 0 CA--C 1.524 0.611 0 N-CA-C 111.216 -0.754 . . . . 0.0 111.216 177.244 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 103' ' ' LYS . . . . . 0.448 ' HA ' ' O ' ' B' ' 116' ' ' ARG . 64.2 pttt -156.15 151.89 27.24 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.658 0.266 . . . . 0.0 111.267 176.482 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 104' ' ' HIS . . . . . 0.444 ' HB2' ' HA ' ' B' ' 84' ' ' PHE . 26.7 t-80 -129.72 115.31 17.14 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.211 161.866 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 105' ' ' GLU . . . . . 0.561 ' O ' ' C ' ' B' ' 106' ' ' GLU . 98.2 mt-10 -66.59 -175.57 0.39 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.141 -177.339 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 106' ' ' GLU . . . . . 0.561 ' C ' ' O ' ' B' ' 105' ' ' GLU . 99.2 mt-10 -25.56 116.42 0.06 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.21 -170.988 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 107' ' ' ARG . . . . . . . . . . . . . 54.0 ttp180 -134.83 74.64 1.53 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.272 -161.648 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 108' ' ' GLN . . . . . . . . . . . . . 73.6 tp60 -45.3 109.42 0.17 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.208 178.284 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 109' ' ' ASP . . . . . . . . . . . . . 14.4 t0 -164.15 -136.77 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.116 -172.553 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 110' ' ' GLU . . . . . . . . . . . . . 99.8 mt-10 -46.34 -64.49 0.74 Allowed 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.172 -178.282 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 111' ' ' HIS . . . . . . . . . . . . . 69.6 m80 -111.26 79.74 1.24 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.163 -0.472 . . . . 0.0 111.189 -176.005 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 112' ' ' GLY . . . . . 0.403 ' HA3' ' HA ' ' A' ' 122' ' ' TYR . . . 55.37 -134.02 49.01 Favored Glycine 0 CA--C 1.522 0.512 0 N-CA-C 111.266 -0.734 . . . . 0.0 111.266 -178.477 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 113' ' ' PHE . . . . . 0.477 ' O ' ' N ' ' A' ' 121' ' ' LYS . 97.3 m-85 -89.37 130.13 35.79 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.824 0.345 . . . . 0.0 111.049 172.469 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 114' ' ' ILE . . . . . . . . . . . . . 5.0 mp -118.65 99.27 7.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.19 -178.59 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 115' ' ' SER . . . . . 0.432 ' HB3' ' HB3' ' A' ' 119' ' ' HIS . 46.1 t -93.04 94.17 8.73 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.228 175.145 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 116' ' ' ARG . . . . . 0.48 ' HA ' ' HA ' ' A' ' 118' ' ' PHE . 42.4 ttm180 -121.44 104.44 9.68 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.166 -162.661 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 117' ' ' GLU . . . . . . . . . . . . . 86.1 tt0 -101.63 121.06 41.31 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.203 175.389 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 118' ' ' PHE . . . . . 0.49 ' HA ' ' HA ' ' A' ' 116' ' ' ARG . 39.6 p90 -124.79 165.98 17.02 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.233 -171.784 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 119' ' ' HIS . . . . . 0.426 ' HB3' ' HB3' ' A' ' 115' ' ' SER . 19.2 t-160 -148.03 81.55 1.49 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.287 -0.415 . . . . 0.0 111.212 -179.886 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 120' ' ' ARG . . . . . 0.498 ' HB2' ' HB ' ' B' ' 100' ' ' VAL . 87.6 mtm180 -86.01 81.98 8.28 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.161 -173.808 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 121' ' ' LYS . . . . . 0.486 ' N ' ' O ' ' A' ' 113' ' ' PHE . 41.8 ttmt -68.59 78.95 0.28 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.257 -179.05 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 122' ' ' TYR . . . . . 0.409 ' HA ' ' HA3' ' A' ' 112' ' ' GLY . 3.3 t80 -72.48 110.11 6.64 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.321 -176.421 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 123' ' ' ARG . . . . . 0.457 ' HA ' ' HA ' ' B' ' 97' ' ' VAL . 50.4 ttt180 -94.0 143.61 26.2 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.274 -159.485 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 124' ' ' ILE . . . . . . . . . . . . . 13.3 mt -109.95 136.54 20.4 Favored Pre-proline 0 C--N 1.33 -0.267 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.147 -176.41 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 125' ' ' PRO . . . . . . . . . . . . . 71.6 Cg_exo -46.37 153.35 1.15 Allowed 'Trans proline' 0 N--CA 1.458 -0.582 0 C-N-CA 121.63 1.553 . . . . 0.0 111.201 165.706 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 126' ' ' ALA . . . . . . . . . . . . . . . -77.41 7.57 5.22 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.049 -167.069 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 127' ' ' ASP . . . . . . . . . . . . . 95.0 m-20 -84.0 -8.17 59.21 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.333 -0.394 . . . . 0.0 111.226 -179.397 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 128' ' ' VAL . . . . . . . . . . . . . 10.6 p -78.83 150.18 5.36 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.234 -171.504 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 129' ' ' ASP . . . . . . . . . . . . . 64.8 t0 -101.39 109.81 59.89 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.21 167.511 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 130' ' ' PRO . . . . . . . . . . . . . 93.3 Cg_exo -55.43 -31.47 77.93 Favored 'Trans proline' 0 N--CA 1.458 -0.604 0 C-N-CA 121.667 1.578 . . . . 0.0 111.129 -173.315 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 131' ' ' LEU . . . . . . . . . . . . . 96.8 mt -82.68 -2.9 55.43 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.178 -169.444 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 132' ' ' THR . . . . . . . . . . . . . 69.7 p -112.92 10.78 19.01 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.196 -178.931 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 133' ' ' ILE . . . . . . . . . . . . . 94.4 mt -90.51 125.34 43.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.193 179.188 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 134' ' ' THR . . . . . . . . . . . . . 92.9 m -125.34 124.9 42.56 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.219 178.576 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 135' ' ' SER . . . . . . . . . . . . . 85.3 p -95.15 163.15 13.41 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.183 178.505 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 136' ' ' SER . . . . . . . . . . . . . 44.5 t -153.55 114.54 4.1 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.204 175.71 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 137' ' ' LEU . . . . . . . . . . . . . 49.9 tp -101.64 110.75 22.81 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.207 -175.697 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 138' ' ' SER . . . . . . . . . . . . . 32.9 t -82.76 143.15 31.06 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.208 171.156 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 139' ' ' SER . . . . . . . . . . . . . 88.9 p -72.51 -10.83 60.27 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.218 179.017 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 140' ' ' ASP . . . . . . . . . . . . . 93.7 m-20 -81.68 -18.26 45.12 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.134 -0.484 . . . . 0.0 111.215 177.899 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 141' ' ' GLY . . . . . . . . . . . . . . . 112.85 11.61 13.99 Favored Glycine 0 CA--C 1.523 0.539 0 N-CA-C 111.268 -0.733 . . . . 0.0 111.268 179.309 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 142' ' ' VAL . . . . . . . . . . . . . 48.9 t -94.74 79.5 1.2 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-O 120.789 0.328 . . . . 0.0 111.208 176.889 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 143' ' ' LEU . . . . . 0.407 ' HG ' HD12 ' B' ' 79' ' ' LEU . 59.7 tp -88.61 124.63 34.25 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.129 176.295 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 144' ' ' THR . . . . . . . . . . . . . 92.0 m -127.24 124.16 38.21 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.144 -177.82 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 145' ' ' VAL . . . . . . . . . . . . . 60.8 t -118.67 118.82 59.15 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.208 174.617 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 146' ' ' ASP . . . . . 0.431 ' OD1' ' C ' ' B' ' 146' ' ' ASP . 20.8 p30 -134.87 160.75 37.25 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.23 -170.045 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 147' ' ' GLY . . . . . 0.435 ' HA2' ' HD3' ' B' ' 148' ' ' PRO . . . 176.87 133.95 1.9 Allowed Glycine 0 CA--C 1.523 0.567 0 N-CA-C 111.212 -0.755 . . . . 0.0 111.212 -178.031 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 148' ' ' PRO . . . . . 0.435 ' HD3' ' HA2' ' B' ' 147' ' ' GLY . 52.1 Cg_exo -58.92 148.38 84.77 Favored 'Trans proline' 0 N--CA 1.458 -0.604 0 C-N-CA 121.772 1.648 . . . . 0.0 111.147 177.515 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 149' ' ' ARG . . . . . . . . . . . . . 34.8 ptt180 -141.49 174.05 10.92 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.185 173.534 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 150' ' ' LYS . . . . . . . . . . . . . 93.2 mttt -89.1 -0.83 57.76 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.338 -171.278 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 151' ' ' GLN . . . . . . . . . . . . . 73.6 tp60 -57.14 -36.68 71.01 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.076 -0.511 . . . . 0.0 111.188 -176.468 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 152' ' ' VAL . . . . . . . . . . . . . 14.9 p . . . . . 0 C--O 1.219 -0.502 0 CA-C-O 117.838 -1.077 . . . . 0.0 111.2 175.575 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.523 0.554 0 N-CA-C 111.181 -0.768 . . . . 0.0 111.181 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 90.5 mt -93.26 153.0 18.84 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.786 0.327 . . . . 0.0 111.207 -179.482 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 74.6 m -75.43 153.85 37.42 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.285 179.372 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 63.4 mt-10 -127.61 57.66 1.51 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.253 179.353 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 68' ' ' MET . . . . . . . . . . . . . 55.2 ttp -73.01 119.87 17.85 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.163 172.226 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 37.7 ptt180 -163.71 153.49 14.89 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.243 178.118 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 49.2 tp -100.11 115.95 30.99 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.234 166.005 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 71' ' ' GLU . . . . . 0.472 ' O ' ' C ' ' A' ' 72' ' ' LYS . 98.5 mt-10 -71.41 -175.93 1.39 Allowed 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.087 -0.506 . . . . 0.0 111.325 173.88 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 72' ' ' LYS . . . . . 0.472 ' C ' ' O ' ' A' ' 71' ' ' GLU . 88.0 tttt -27.54 -58.99 0.1 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.136 174.041 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 56.5 p-10 -152.82 56.68 0.79 Allowed 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.3 170.225 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 35.0 tpt85 -160.22 106.81 1.57 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.169 -173.034 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 75' ' ' PHE . . . . . . . . . . . . . 77.1 t80 -97.28 130.06 44.51 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.186 -174.781 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 95.3 p -139.79 154.04 47.27 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.282 -0.417 . . . . 0.0 111.184 -178.213 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 95.2 t -133.12 98.21 2.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.245 175.606 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 48.3 t30 -91.58 112.64 24.65 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.26 174.331 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -130.37 159.0 38.32 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.135 -172.555 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 63.6 t0 -90.16 121.48 32.24 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.213 -172.611 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 29.5 m -144.02 31.35 0.25 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.312 173.765 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 98.8 mttt -89.37 45.28 1.27 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.051 -0.522 . . . . 0.0 111.208 -166.863 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 95.5 m-70 -141.32 -5.2 1.1 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.288 179.88 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 84' ' ' PHE . . . . . 0.505 ' CD1' ' HB2' ' A' ' 104' ' ' HIS . 14.0 p90 -155.88 179.18 9.45 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.241 -172.429 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 65.1 m -98.73 158.96 31.53 Favored Pre-proline 0 C--N 1.328 -0.332 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.181 -160.64 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 59.2 Cg_endo -65.29 -15.78 51.59 Favored 'Trans proline' 0 N--CA 1.458 -0.569 0 C-N-CA 121.664 1.576 . . . . 0.0 111.148 173.472 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 98.6 mt-10 -91.03 -22.6 20.69 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.105 174.813 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 45.1 tp10 -75.05 -35.7 61.87 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.183 173.934 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 3.9 pp -99.47 149.25 23.4 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.285 -177.1 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 98.4 mttt -125.49 88.45 2.87 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.268 -179.923 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 96.7 t -69.76 116.96 11.81 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.398 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.237 175.409 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 98.3 mttt -130.63 169.79 15.16 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.304 -0.407 . . . . 0.0 111.271 177.578 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 93' ' ' VAL . . . . . 0.474 ' HA ' ' HA ' ' A' ' 98' ' ' ILE . 34.9 m -113.77 159.15 13.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.282 -0.417 . . . . 0.0 111.23 166.789 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 26.7 tp -142.17 66.45 1.34 Allowed 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.147 176.989 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 74.03 -103.34 1.46 Allowed Glycine 0 CA--C 1.522 0.484 0 N-CA-C 111.23 -0.748 . . . . 0.0 111.23 174.283 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 92.8 m-20 -79.51 -14.43 58.88 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.77 0.319 . . . . 0.0 111.144 -176.369 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 97' ' ' VAL . . . . . 0.555 ' HA ' ' HA ' ' A' ' 123' ' ' ARG . 34.7 m -123.77 175.92 5.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.237 -177.565 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 98' ' ' ILE . . . . . 0.474 ' HA ' ' HA ' ' A' ' 93' ' ' VAL . 83.7 mt -121.49 94.15 2.83 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.4 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.215 178.554 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 88.5 tt0 -73.16 78.29 1.27 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.275 -171.773 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 100' ' ' VAL . . . . . . . . . . . . . 94.8 t -68.54 87.53 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.245 173.723 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 101' ' ' HIS . . . . . 0.406 ' HA ' ' HA ' ' A' ' 119' ' ' HIS . 13.5 t-160 -87.39 64.59 8.29 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.209 -175.36 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . -86.05 168.3 40.81 Favored Glycine 0 CA--C 1.524 0.6 0 N-CA-C 111.28 -0.728 . . . . 0.0 111.28 177.49 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 103' ' ' LYS . . . . . 0.414 ' HA ' ' O ' ' A' ' 116' ' ' ARG . 64.6 pttt -164.21 161.57 22.16 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 120.856 0.36 . . . . 0.0 111.22 176.731 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 104' ' ' HIS . . . . . 0.505 ' HB2' ' CD1' ' A' ' 84' ' ' PHE . 1.5 t-80 -134.02 102.15 5.31 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.14 164.206 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 96.4 mt-10 -88.13 157.08 18.94 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.204 -179.472 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 94.5 mt-10 48.23 49.85 17.12 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.212 -174.755 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 107' ' ' ARG . . . . . 0.442 ' HB3' HG13 ' A' ' 114' ' ' ILE . 74.7 ttt-85 -86.4 82.63 7.9 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.198 -171.329 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 108' ' ' GLN . . . . . . . . . . . . . 73.1 tp60 -56.51 124.15 17.23 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.13 -0.487 . . . . 0.0 111.137 177.084 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 14.4 t0 -150.13 175.94 11.28 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.238 -179.546 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 51.2 tp10 -52.03 -33.73 40.0 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.246 179.686 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 111' ' ' HIS . . . . . . . . . . . . . 85.3 m-70 -131.33 67.77 1.51 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.29 -175.649 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 112' ' ' GLY . . . . . 0.41 ' HA3' ' HA ' ' A' ' 113' ' ' PHE . . . -160.34 -137.84 2.31 Favored Glycine 0 CA--C 1.524 0.634 0 N-CA-C 111.135 -0.786 . . . . 0.0 111.135 179.657 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 113' ' ' PHE . . . . . 0.41 ' HA ' ' HA3' ' A' ' 112' ' ' GLY . 46.9 p90 -76.84 167.38 21.92 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.783 0.325 . . . . 0.0 111.257 9.519 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 114' ' ' ILE . . . . . 0.442 HG13 ' HB3' ' A' ' 107' ' ' ARG . 38.1 pt -128.89 177.29 6.51 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.172 -176.639 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 115' ' ' SER . . . . . 0.443 ' O ' ' HA ' ' B' ' 118' ' ' PHE . 48.0 t -138.44 110.05 7.07 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.219 171.95 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 116' ' ' ARG . . . . . 0.414 ' O ' ' HA ' ' A' ' 103' ' ' LYS . 59.5 ttp180 -105.97 88.4 2.8 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.208 -170.23 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 81.8 tt0 -105.73 114.81 29.19 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.192 -176.983 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 118' ' ' PHE . . . . . 0.439 ' HA ' ' O ' ' B' ' 115' ' ' SER . 27.8 p90 -121.57 161.36 22.52 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.305 -0.407 . . . . 0.0 111.224 -172.202 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 119' ' ' HIS . . . . . 0.418 ' HB2' ' HB3' ' B' ' 115' ' ' SER . 13.4 m80 -131.36 65.99 1.55 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.194 178.362 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 98.9 mtt180 -75.86 96.27 3.67 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.206 -161.908 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 121' ' ' LYS . . . . . . . . . . . . . 98.3 mttt -86.37 76.7 9.62 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.134 -171.595 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 122' ' ' TYR . . . . . . . . . . . . . 97.8 m-85 -64.38 109.98 2.11 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.244 -178.346 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 123' ' ' ARG . . . . . 0.555 ' HA ' ' HA ' ' A' ' 97' ' ' VAL . 56.1 ttt180 -76.81 129.73 36.66 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.092 -166.662 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 124' ' ' ILE . . . . . . . . . . . . . 76.0 mt -82.08 122.77 79.9 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.189 -173.068 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 125' ' ' PRO . . . . . . . . . . . . . 86.4 Cg_exo -49.7 140.48 29.42 Favored 'Trans proline' 0 N--CA 1.458 -0.568 0 C-N-CA 121.773 1.649 . . . . 0.0 111.139 172.917 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . -59.49 -15.78 20.01 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.065 -0.516 . . . . 0.0 111.277 -176.906 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 127' ' ' ASP . . . . . . . . . . . . . 85.1 m-20 -95.12 9.19 40.51 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.19 -177.419 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 128' ' ' VAL . . . . . . . . . . . . . 97.8 t -123.35 133.29 69.56 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 CA-C-N 116.235 -0.438 . . . . 0.0 111.198 -175.962 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 65.5 t0 -87.5 118.79 70.3 Favored Pre-proline 0 C--N 1.328 -0.344 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.205 -179.27 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 130' ' ' PRO . . . . . . . . . . . . . 88.6 Cg_exo -52.71 -32.32 54.7 Favored 'Trans proline' 0 N--CA 1.456 -0.714 0 C-N-CA 121.664 1.576 . . . . 0.0 111.205 -179.271 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 131' ' ' LEU . . . . . . . . . . . . . 95.7 mt -72.16 -21.03 61.51 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.229 -171.949 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 132' ' ' THR . . . . . . . . . . . . . 59.6 p -88.68 -2.2 58.47 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.227 -177.817 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 133' ' ' ILE . . . . . . . . . . . . . 89.2 mt -95.81 120.07 44.71 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.147 -173.931 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 134' ' ' THR . . . . . . . . . . . . . 89.0 m -132.91 136.53 46.21 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.161 179.907 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 135' ' ' SER . . . . . 0.43 ' HA ' ' HA ' ' A' ' 145' ' ' VAL . 83.8 p -81.74 157.45 24.54 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.131 -177.35 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 136' ' ' SER . . . . . . . . . . . . . 44.4 t -150.68 139.5 20.83 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.176 172.181 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 137' ' ' LEU . . . . . . . . . . . . . 7.7 tt -135.47 139.91 44.42 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.204 -171.497 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 138' ' ' SER . . . . . . . . . . . . . 27.4 p -107.08 174.19 6.0 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.171 -176.264 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 139' ' ' SER . . . . . . . . . . . . . 86.4 p -67.63 -19.3 65.2 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.215 178.439 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 140' ' ' ASP . . . . . . . . . . . . . 88.1 m-20 -87.01 -13.08 45.49 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.211 178.298 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 141' ' ' GLY . . . . . . . . . . . . . . . 97.38 20.52 22.45 Favored Glycine 0 CA--C 1.524 0.607 0 N-CA-C 111.128 -0.789 . . . . 0.0 111.128 -179.723 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 142' ' ' VAL . . . . . . . . . . . . . 64.2 t -77.61 88.85 1.01 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-O 120.723 0.296 . . . . 0.0 111.252 179.181 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 143' ' ' LEU . . . . . . . . . . . . . 62.6 tp -96.34 122.98 39.8 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.219 -176.11 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 144' ' ' THR . . . . . . . . . . . . . 90.4 m -130.16 119.48 23.06 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.124 179.342 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 145' ' ' VAL . . . . . 0.43 ' HA ' ' HA ' ' A' ' 135' ' ' SER . 43.7 t -107.97 102.94 14.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.233 179.25 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 146' ' ' ASP . . . . . . . . . . . . . 4.0 p30 -142.86 138.48 30.31 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.156 -158.393 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 147' ' ' GLY . . . . . . . . . . . . . . . -147.01 137.83 6.92 Favored Glycine 0 CA--C 1.522 0.49 0 N-CA-C 111.265 -0.734 . . . . 0.0 111.265 174.44 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 148' ' ' PRO . . . . . . . . . . . . . 75.3 Cg_exo -57.48 151.72 51.88 Favored 'Trans proline' 0 N--CA 1.457 -0.649 0 C-N-CA 121.73 1.62 . . . . 0.0 111.225 -179.754 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 149' ' ' ARG . . . . . . . . . . . . . 74.7 ttt180 -48.95 151.73 1.19 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.189 175.378 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 150' ' ' LYS . . . . . . . . . . . . . 59.4 pttt -64.98 -15.56 62.4 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.251 -176.109 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 151' ' ' GLN . . . . . . . . . . . . . 99.3 mm-40 -87.75 -1.52 58.02 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.154 -179.674 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 152' ' ' VAL . . . . . . . . . . . . . 87.0 t . . . . . 0 C--O 1.221 -0.436 0 CA-C-O 118.191 -0.909 . . . . 0.0 111.214 179.159 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' B' B ' 64' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.522 0.49 0 N-CA-C 111.178 -0.769 . . . . 0.0 111.178 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' B' B ' 65' ' ' LEU . . . . . . . . . . . . . 90.3 mt -93.25 153.12 18.77 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.763 0.316 . . . . 0.0 111.191 -179.439 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 66' ' ' SER . . . . . . . . . . . . . 75.0 m -75.67 153.96 36.83 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.223 179.426 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 67' ' ' GLU . . . . . . . . . . . . . 63.5 mt-10 -127.72 57.6 1.52 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.185 179.514 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 68' ' ' MET . . . . . . . . . . . . . 55.2 ttp -72.94 119.73 17.58 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.163 172.228 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 69' ' ' ARG . . . . . . . . . . . . . 37.8 ptt180 -163.72 153.55 14.94 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.191 178.072 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 70' ' ' LEU . . . . . . . . . . . . . 48.9 tp -100.02 115.99 31.02 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.212 166.151 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 71' ' ' GLU . . . . . 0.486 ' O ' ' C ' ' B' ' 72' ' ' LYS . 98.6 mt-10 -71.55 -175.98 1.45 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.266 174.011 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 72' ' ' LYS . . . . . 0.486 ' C ' ' O ' ' B' ' 71' ' ' GLU . 88.1 tttt -27.54 -58.89 0.1 Allowed 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.205 173.971 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 73' ' ' ASP . . . . . . . . . . . . . 56.4 p-10 -152.87 56.73 0.79 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.172 170.275 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 74' ' ' ARG . . . . . . . . . . . . . 34.8 tpt85 -160.3 106.8 1.55 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.315 -0.402 . . . . 0.0 111.126 -173.019 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 75' ' ' PHE . . . . . . . . . . . . . 77.9 t80 -97.26 129.9 44.52 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.307 -174.839 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 76' ' ' SER . . . . . . . . . . . . . 97.3 p -139.8 154.08 47.27 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.313 -0.403 . . . . 0.0 111.158 -178.212 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 77' ' ' VAL . . . . . . . . . . . . . 96.2 t -133.1 98.19 2.74 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-N 116.112 -0.494 . . . . 0.0 111.249 175.681 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 78' ' ' ASN . . . . . . . . . . . . . 48.2 t30 -91.56 112.76 24.81 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.25 174.273 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 79' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -130.47 158.87 38.74 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.258 -172.577 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 80' ' ' ASP . . . . . . . . . . . . . 63.6 t0 -90.06 121.52 32.21 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.214 -172.49 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 81' ' ' VAL . . . . . . . . . . . . . 30.6 m -144.09 31.4 0.25 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.182 173.77 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 82' ' ' LYS . . . . . . . . . . . . . 98.8 mttt -89.23 45.02 1.25 Allowed 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.209 -166.866 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 83' ' ' HIS . . . . . . . . . . . . . 95.6 m-70 -141.2 -5.15 1.12 Allowed 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.297 179.9 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 84' ' ' PHE . . . . . 0.508 ' CD1' ' HB2' ' B' ' 104' ' ' HIS . 13.7 p90 -155.92 179.22 9.42 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.252 -172.441 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 85' ' ' SER . . . . . . . . . . . . . 65.4 m -98.7 159.05 31.37 Favored Pre-proline 0 C--N 1.327 -0.401 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.23 -160.65 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 86' ' ' PRO . . . . . . . . . . . . . 59.2 Cg_endo -65.35 -15.84 51.71 Favored 'Trans proline' 0 C--N 1.328 -0.521 0 C-N-CA 121.666 1.578 . . . . 0.0 111.208 173.514 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 87' ' ' GLU . . . . . . . . . . . . . 98.6 mt-10 -90.98 -22.58 20.74 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.073 -0.512 . . . . 0.0 111.155 174.775 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 88' ' ' GLU . . . . . . . . . . . . . 45.3 tp10 -74.97 -35.7 62.06 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.24 173.944 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 89' ' ' LEU . . . . . . . . . . . . . 3.9 pp -99.47 149.23 23.42 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.207 -176.981 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 90' ' ' LYS . . . . . . . . . . . . . 98.5 mttt -125.6 88.48 2.87 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.136 -179.928 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 91' ' ' VAL . . . . . . . . . . . . . 96.9 t -69.75 117.11 12.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.169 175.336 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 92' ' ' LYS . . . . . . . . . . . . . 98.3 mttt -130.77 169.74 15.3 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.203 177.611 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 93' ' ' VAL . . . . . 0.48 ' HA ' ' HA ' ' B' ' 98' ' ' ILE . 34.9 m -113.82 159.08 13.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.18 166.844 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 94' ' ' LEU . . . . . . . . . . . . . 27.0 tp -142.13 66.67 1.34 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.171 176.871 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 95' ' ' GLY . . . . . . . . . . . . . . . 73.92 -103.28 1.44 Allowed Glycine 0 CA--C 1.524 0.616 0 N-CA-C 111.195 -0.762 . . . . 0.0 111.195 174.252 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 96' ' ' ASP . . . . . . . . . . . . . 92.4 m-20 -79.55 -14.47 58.82 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-O 120.78 0.324 . . . . 0.0 111.171 -176.337 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 97' ' ' VAL . . . . . 0.582 ' HA ' ' HA ' ' B' ' 123' ' ' ARG . 34.7 m -123.75 175.8 6.02 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.186 -177.518 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 98' ' ' ILE . . . . . 0.48 ' HA ' ' HA ' ' B' ' 93' ' ' VAL . 83.4 mt -121.47 94.33 2.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.266 -0.424 . . . . 0.0 111.153 178.528 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 99' ' ' GLU . . . . . . . . . . . . . 88.4 tt0 -73.26 78.23 1.31 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.286 -171.864 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 100' ' ' VAL . . . . . 0.402 ' HB ' ' HB2' ' B' ' 120' ' ' ARG . 94.7 t -68.57 87.63 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.202 173.744 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 101' ' ' HIS . . . . . . . . . . . . . 13.7 t-160 -87.36 64.54 8.29 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.239 -175.425 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 102' ' ' GLY . . . . . . . . . . . . . . . -86.05 168.24 40.76 Favored Glycine 0 CA--C 1.523 0.586 0 N-CA-C 111.351 -0.7 . . . . 0.0 111.351 177.507 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 103' ' ' LYS . . . . . 0.411 ' HA ' ' O ' ' B' ' 116' ' ' ARG . 64.6 pttt -164.12 161.55 22.41 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-O 120.816 0.341 . . . . 0.0 111.187 176.827 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 104' ' ' HIS . . . . . 0.508 ' HB2' ' CD1' ' B' ' 84' ' ' PHE . 1.5 t-80 -133.97 102.16 5.32 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.219 164.06 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 105' ' ' GLU . . . . . . . . . . . . . 96.4 mt-10 -88.27 157.02 18.89 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.221 -179.48 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 106' ' ' GLU . . . . . . . . . . . . . 94.6 mt-10 48.33 49.96 17.18 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.222 -174.679 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 107' ' ' ARG . . . . . 0.451 ' HB3' HG13 ' B' ' 114' ' ' ILE . 74.7 ttt-85 -86.48 82.53 7.91 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.273 -171.364 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 108' ' ' GLN . . . . . . . . . . . . . 73.1 tp60 -56.59 124.11 17.16 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.131 177.175 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 109' ' ' ASP . . . . . . . . . . . . . 14.3 t0 -150.07 175.97 11.24 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.218 -179.548 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 110' ' ' GLU . . . . . . . . . . . . . 51.5 tp10 -52.05 -33.75 40.33 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.208 179.726 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 111' ' ' HIS . . . . . . . . . . . . . 85.6 m-70 -131.29 67.83 1.51 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.15 -175.601 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 112' ' ' GLY . . . . . . . . . . . . . . . -160.42 -137.9 2.32 Favored Glycine 0 CA--C 1.524 0.632 0 N-CA-C 111.084 -0.806 . . . . 0.0 111.084 179.623 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 113' ' ' PHE . . . . . . . . . . . . . 47.3 p90 -76.99 167.34 21.99 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.759 0.314 . . . . 0.0 111.201 9.617 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 114' ' ' ILE . . . . . 0.451 HG13 ' HB3' ' B' ' 107' ' ' ARG . 37.8 pt -128.78 177.34 6.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.204 -176.66 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 115' ' ' SER . . . . . 0.439 ' O ' ' HA ' ' A' ' 118' ' ' PHE . 47.8 t -138.39 110.12 7.12 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.103 171.983 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 116' ' ' ARG . . . . . 0.411 ' O ' ' HA ' ' B' ' 103' ' ' LYS . 59.4 ttp180 -106.02 88.41 2.8 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.175 -170.369 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 117' ' ' GLU . . . . . . . . . . . . . 81.8 tt0 -105.81 114.79 29.15 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.254 -177.048 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 118' ' ' PHE . . . . . 0.443 ' HA ' ' O ' ' A' ' 115' ' ' SER . 27.9 p90 -121.44 161.45 22.19 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.299 -172.131 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 119' ' ' HIS . . . . . 0.417 ' HB2' ' HB3' ' A' ' 115' ' ' SER . 13.2 m80 -131.53 66.07 1.55 Allowed 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.173 178.277 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 120' ' ' ARG . . . . . 0.402 ' HB2' ' HB ' ' B' ' 100' ' ' VAL . 98.9 mtt180 -75.86 96.3 3.67 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.211 -161.961 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 121' ' ' LYS . . . . . . . . . . . . . 98.3 mttt -86.43 76.9 9.56 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.173 -171.639 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 122' ' ' TYR . . . . . . . . . . . . . 97.7 m-85 -64.55 109.91 2.14 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.168 -178.232 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 123' ' ' ARG . . . . . 0.582 ' HA ' ' HA ' ' B' ' 97' ' ' VAL . 56.3 ttt180 -76.75 129.81 36.82 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.169 -166.675 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 124' ' ' ILE . . . . . . . . . . . . . 76.5 mt -82.13 122.83 79.84 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.108 -173.013 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 125' ' ' PRO . . . . . . . . . . . . . 86.5 Cg_exo -49.8 140.54 30.11 Favored 'Trans proline' 0 N--CA 1.458 -0.57 0 C-N-CA 121.581 1.521 . . . . 0.0 111.219 172.826 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 126' ' ' ALA . . . . . . . . . . . . . . . -59.51 -15.93 21.13 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.092 -0.504 . . . . 0.0 111.162 -176.763 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 127' ' ' ASP . . . . . . . . . . . . . 85.0 m-20 -94.94 9.13 40.48 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.354 -177.545 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 128' ' ' VAL . . . . . . . . . . . . . 96.9 t -123.33 133.37 69.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.134 -175.872 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 129' ' ' ASP . . . . . . . . . . . . . 65.4 t0 -87.61 118.9 70.39 Favored Pre-proline 0 C--N 1.328 -0.338 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.106 -179.281 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 130' ' ' PRO . . . . . . . . . . . . . 88.7 Cg_exo -52.71 -32.36 54.82 Favored 'Trans proline' 0 N--CA 1.458 -0.569 0 C-N-CA 121.698 1.598 . . . . 0.0 111.215 -179.345 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 131' ' ' LEU . . . . . . . . . . . . . 95.6 mt -72.28 -20.99 61.42 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.164 -171.84 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 132' ' ' THR . . . . . . . . . . . . . 57.9 p -88.56 -2.43 58.59 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.264 -177.909 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 133' ' ' ILE . . . . . . . . . . . . . 88.9 mt -95.76 120.07 44.66 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.166 -173.902 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 134' ' ' THR . . . . . . . . . . . . . 88.4 m -132.89 136.6 46.28 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.229 179.816 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 135' ' ' SER . . . . . 0.419 ' HA ' ' HA ' ' B' ' 145' ' ' VAL . 83.8 p -81.69 157.44 24.61 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.101 -177.302 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 136' ' ' SER . . . . . . . . . . . . . 44.5 t -150.73 139.39 20.67 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.231 172.233 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 137' ' ' LEU . . . . . . . . . . . . . 7.8 tt -135.43 139.88 44.48 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.242 -171.47 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 138' ' ' SER . . . . . . . . . . . . . 27.0 p -107.12 174.32 5.94 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.134 -176.32 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 139' ' ' SER . . . . . . . . . . . . . 86.1 p -67.75 -19.28 65.1 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.143 178.517 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 140' ' ' ASP . . . . . . . . . . . . . 88.5 m-20 -87.08 -12.97 45.6 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.293 -0.412 . . . . 0.0 111.122 178.348 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 141' ' ' GLY . . . . . . . . . . . . . . . 97.26 20.62 22.48 Favored Glycine 0 CA--C 1.522 0.525 0 N-CA-C 111.247 -0.741 . . . . 0.0 111.247 -179.69 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 142' ' ' VAL . . . . . . . . . . . . . 64.9 t -77.77 88.91 1.04 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-O 120.773 0.32 . . . . 0.0 111.141 179.248 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 143' ' ' LEU . . . . . . . . . . . . . 62.6 tp -96.19 122.92 39.56 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.266 -176.236 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 144' ' ' THR . . . . . . . . . . . . . 89.5 m -130.24 119.63 23.21 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.032 179.319 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 145' ' ' VAL . . . . . 0.419 ' HA ' ' HA ' ' B' ' 135' ' ' SER . 44.1 t -108.11 103.05 14.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.12 179.339 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 146' ' ' ASP . . . . . . . . . . . . . 4.0 p30 -142.96 138.54 30.17 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.108 -158.473 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 147' ' ' GLY . . . . . 0.446 ' HA2' ' HD3' ' B' ' 148' ' ' PRO . . . -146.95 137.91 6.98 Favored Glycine 0 CA--C 1.522 0.511 0 N-CA-C 111.267 -0.733 . . . . 0.0 111.267 174.405 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 148' ' ' PRO . . . . . 0.446 ' HD3' ' HA2' ' B' ' 147' ' ' GLY . 75.6 Cg_exo -57.43 151.65 51.99 Favored 'Trans proline' 0 N--CA 1.458 -0.609 0 C-N-CA 121.72 1.613 . . . . 0.0 111.248 -179.859 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 149' ' ' ARG . . . . . . . . . . . . . 74.7 ttt180 -48.88 151.76 1.17 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.135 175.327 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 150' ' ' LYS . . . . . . . . . . . . . 59.3 pttt -65.08 -15.54 62.49 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.121 -0.491 . . . . 0.0 111.207 -176.167 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 151' ' ' GLN . . . . . . . . . . . . . 99.3 mm-40 -87.75 -1.4 57.94 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.258 -179.836 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 152' ' ' VAL . . . . . . . . . . . . . 87.5 t . . . . . 0 C--O 1.22 -0.457 0 CA-C-O 117.829 -1.081 . . . . 0.0 111.176 179.13 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.524 0.597 0 N-CA-C 111.239 -0.744 . . . . 0.0 111.239 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 96.7 mt -95.91 -11.01 27.34 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.821 0.344 . . . . 0.0 111.277 178.707 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 89.7 p -134.15 3.45 3.41 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.09 -0.505 . . . . 0.0 111.185 -178.254 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 88.7 tt0 -149.13 134.94 18.83 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.193 179.726 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 68' ' ' MET . . . . . . . . . . . . . 62.0 ttp -74.34 122.23 22.6 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.227 179.391 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 78.9 ttt180 -144.87 148.78 34.33 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.259 -172.27 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 81.7 mt -78.7 138.72 38.4 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.15 173.77 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 71' ' ' GLU . . . . . 0.431 ' HB2' ' HB2' ' A' ' 74' ' ' ARG . 68.4 mm-40 -67.13 -175.61 0.46 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.284 165.276 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 87.9 tttt -39.96 -49.19 2.46 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.289 -0.414 . . . . 0.0 111.214 178.229 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 55.4 p-10 -149.93 36.38 0.69 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.207 174.321 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 74' ' ' ARG . . . . . 0.431 ' HB2' ' HB2' ' A' ' 71' ' ' GLU . 87.6 mtm180 -141.05 174.35 10.6 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.264 -179.81 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 75' ' ' PHE . . . . . 0.429 ' HB3' ' O ' ' A' ' 147' ' ' GLY . 32.1 t80 -122.38 131.62 53.98 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.202 -178.97 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 96.7 p -142.57 164.31 30.47 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.315 -0.402 . . . . 0.0 111.322 174.738 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 77' ' ' VAL . . . . . 0.734 ' O ' HG13 ' A' ' 77' ' ' VAL . 9.8 p -155.71 108.53 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.419 0 CA-C-N 116.33 -0.396 . . . . 0.0 111.234 178.205 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 74.2 m-80 -92.36 117.6 30.08 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.149 -178.843 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 81.8 mt -118.11 150.8 38.74 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.197 -171.401 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 65.7 t0 -86.67 112.73 21.91 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.255 -0.429 . . . . 0.0 111.172 177.138 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 27.0 m -136.25 22.35 0.9 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.291 -177.327 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 88.8 tttt -68.54 -41.7 79.48 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.176 -174.191 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 17.9 p-80 -79.11 -12.96 60.01 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.179 -175.978 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 84' ' ' PHE . . . . . . . . . . . . . 21.5 m-30 -72.61 152.92 41.51 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.251 -0.432 . . . . 0.0 111.264 177.12 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 85' ' ' SER . . . . . 0.445 ' O ' ' N ' ' A' ' 89' ' ' LEU . 72.6 m -100.36 147.81 34.06 Favored Pre-proline 0 C--N 1.328 -0.329 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.273 172.219 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 71.3 Cg_exo -54.22 -32.8 72.48 Favored 'Trans proline' 0 N--CA 1.458 -0.575 0 C-N-CA 121.766 1.644 . . . . 0.0 111.129 177.544 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 99.0 mt-10 -83.24 -19.39 36.5 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.309 -0.405 . . . . 0.0 111.194 -178.816 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 94.8 mt-10 -104.83 -11.49 16.75 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.333 -0.394 . . . . 0.0 111.226 -179.865 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 89' ' ' LEU . . . . . 0.445 ' N ' ' O ' ' A' ' 85' ' ' SER . 46.7 tp -97.29 113.35 24.96 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.292 -175.118 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 97.5 mttt -112.31 147.09 37.05 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.19 174.376 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 91' ' ' VAL . . . . . 0.499 ' O ' HG13 ' A' ' 91' ' ' VAL . 6.8 p -131.1 114.68 27.28 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.383 0 CA-C-N 116.067 -0.515 . . . . 0.0 111.199 173.752 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 99.4 mttt -132.65 169.58 16.45 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.234 -172.816 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 34.1 m -124.8 161.54 28.26 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.211 168.153 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 94' ' ' LEU . . . . . 0.415 ' HB3' ' HB ' ' A' ' 97' ' ' VAL . 46.7 tp -141.58 82.82 1.83 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.258 177.269 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 79.52 -105.65 2.31 Favored Glycine 0 CA--C 1.523 0.536 0 N-CA-C 111.206 -0.758 . . . . 0.0 111.206 -176.656 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 79.6 m-20 -90.4 -14.26 33.3 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.849 0.357 . . . . 0.0 111.203 169.665 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 97' ' ' VAL . . . . . 0.557 ' HA ' ' HA ' ' A' ' 123' ' ' ARG . 61.7 t -79.43 145.39 9.43 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.284 -173.757 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 98' ' ' ILE . . . . . . . . . . . . . 76.0 mt -110.03 82.79 0.64 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.377 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.252 168.194 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 84.8 tt0 -77.92 92.52 4.29 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.239 -177.322 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 100' ' ' VAL . . . . . 0.549 ' HB ' ' HB2' ' A' ' 120' ' ' ARG . 59.7 t -79.22 95.06 1.91 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.179 173.736 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 101' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -89.53 68.69 7.81 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.199 -170.314 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . -85.08 167.41 41.68 Favored Glycine 0 CA--C 1.523 0.582 0 N-CA-C 111.205 -0.758 . . . . 0.0 111.205 179.111 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 103' ' ' LYS . . . . . 0.416 ' CB ' ' HA ' ' A' ' 117' ' ' GLU . 61.4 pttt -167.3 148.04 5.53 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.764 0.316 . . . . 0.0 111.157 169.963 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 104' ' ' HIS . . . . . . . . . . . . . 23.8 t-160 -123.0 108.89 13.43 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.205 168.98 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 88.6 mt-10 -93.95 162.73 13.78 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.233 -179.992 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 94.9 mt-10 48.19 57.48 6.09 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.219 -175.428 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 107' ' ' ARG . . . . . 0.421 ' HD3' HD11 ' A' ' 114' ' ' ILE . 72.8 ttt-85 -104.63 92.0 4.1 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.195 -168.506 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 108' ' ' GLN . . . . . . . . . . . . . 68.4 tp60 -41.05 118.98 1.08 Allowed 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.201 176.966 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 6.2 t0 -116.95 -169.98 1.75 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.105 179.369 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 78.6 mm-40 -83.28 -15.95 48.16 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.151 177.932 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 111' ' ' HIS . . . . . 0.426 ' HB2' ' CZ ' ' B' ' 122' ' ' TYR . 99.0 m-70 -105.55 -16.09 14.81 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.218 179.779 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 167.09 -108.51 0.31 Allowed Glycine 0 CA--C 1.524 0.602 0 N-CA-C 111.189 -0.764 . . . . 0.0 111.189 179.576 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 113' ' ' PHE . . . . . . . . . . . . . 35.5 p90 -150.22 158.03 43.72 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.809 0.338 . . . . 0.0 111.187 159.497 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 114' ' ' ILE . . . . . 0.421 HD11 ' HD3' ' A' ' 107' ' ' ARG . 44.8 pt -129.27 165.3 29.53 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.297 -171.795 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 115' ' ' SER . . . . . 0.519 ' HB3' ' HB2' ' B' ' 119' ' ' HIS . 12.7 t -123.22 115.44 21.74 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.226 164.345 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 116' ' ' ARG . . . . . . . . . . . . . 44.3 ttp180 -119.27 102.49 8.73 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.213 -166.544 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 117' ' ' GLU . . . . . 0.416 ' HA ' ' CB ' ' A' ' 103' ' ' LYS . 86.8 tt0 -105.66 129.29 53.92 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.174 -171.298 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 118' ' ' PHE . . . . . 0.408 ' HB3' ' HG3' ' A' ' 120' ' ' ARG . 68.1 m-85 -108.84 151.78 25.78 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.226 -172.46 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 119' ' ' HIS . . . . . 0.507 ' HB2' ' HB3' ' B' ' 115' ' ' SER . 26.6 m80 -133.09 70.35 1.47 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.158 162.628 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 120' ' ' ARG . . . . . 0.549 ' HB2' ' HB ' ' A' ' 100' ' ' VAL . 99.3 mtt180 -74.58 81.08 1.99 Allowed 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.11 -0.495 . . . . 0.0 111.266 -161.283 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 121' ' ' LYS . . . . . . . . . . . . . 95.1 mttt -75.65 84.61 2.67 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.079 -0.51 . . . . 0.0 111.273 -177.574 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 122' ' ' TYR . . . . . 0.449 ' CZ ' ' HB3' ' A' ' 120' ' ' ARG . 16.2 m-85 -97.97 107.33 19.79 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.275 176.595 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 123' ' ' ARG . . . . . 0.557 ' HA ' ' HA ' ' A' ' 97' ' ' VAL . 59.6 ttt180 -88.11 143.11 27.25 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.123 -161.032 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 124' ' ' ILE . . . . . . . . . . . . . 78.7 mt -73.78 125.01 90.73 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.183 -170.583 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 125' ' ' PRO . . . . . . . . . . . . . 84.3 Cg_exo -50.01 140.83 31.17 Favored 'Trans proline' 0 C--N 1.328 -0.522 0 C-N-CA 121.741 1.627 . . . . 0.0 111.093 174.27 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . -58.0 -21.51 45.2 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.174 -171.676 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 127' ' ' ASP . . . . . . . . . . . . . 93.2 m-20 -100.64 25.91 7.32 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.221 -176.569 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 128' ' ' VAL . . . . . 0.444 ' HA ' ' HA ' ' A' ' 149' ' ' ARG . 98.8 t -129.26 134.84 63.12 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.368 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.115 178.901 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 64.0 t0 -87.4 115.92 64.4 Favored Pre-proline 0 C--N 1.328 -0.333 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.238 -175.697 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 130' ' ' PRO . . . . . . . . . . . . . 79.8 Cg_exo -55.33 -33.27 84.63 Favored 'Trans proline' 0 N--CA 1.458 -0.611 0 C-N-CA 121.75 1.634 . . . . 0.0 111.173 -177.015 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 131' ' ' LEU . . . . . . . . . . . . . 97.9 mt -85.66 4.98 34.0 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.22 -168.379 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 132' ' ' THR . . . . . . . . . . . . . 73.1 p -115.33 4.17 14.36 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.177 178.162 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 133' ' ' ILE . . . . . . . . . . . . . 95.5 mt -94.04 126.19 46.5 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.152 -175.396 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 134' ' ' THR . . . . . . . . . . . . . 93.6 m -128.05 130.72 48.71 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.237 179.152 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 135' ' ' SER . . . . . 0.443 ' HA ' ' HA ' ' A' ' 145' ' ' VAL . 85.8 p -83.1 154.54 24.3 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.13 -179.532 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 136' ' ' SER . . . . . . . . . . . . . 43.8 t -146.9 132.49 18.77 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.145 176.486 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 137' ' ' LEU . . . . . . . . . . . . . 63.5 tp -108.47 126.26 52.71 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.157 -178.867 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 138' ' ' SER . . . . . . . . . . . . . 65.1 p -92.96 165.1 13.03 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.118 -178.797 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 139' ' ' SER . . . . . . . . . . . . . 87.5 p -73.79 -14.38 61.1 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.136 -0.483 . . . . 0.0 111.236 177.058 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 140' ' ' ASP . . . . . . . . . . . . . 92.9 m-20 -85.75 -5.07 59.3 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.184 178.037 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 141' ' ' GLY . . . . . . . . . . . . . . . 84.42 39.73 8.85 Favored Glycine 0 CA--C 1.523 0.555 0 N-CA-C 111.128 -0.789 . . . . 0.0 111.128 179.216 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 142' ' ' VAL . . . . . . . . . . . . . 78.6 t -116.23 121.28 67.18 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-O 120.785 0.326 . . . . 0.0 111.206 175.446 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 143' ' ' LEU . . . . . . . . . . . . . 61.5 tp -97.31 124.99 41.61 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.23 177.587 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 144' ' ' THR . . . . . . . . . . . . . 88.9 m -120.54 107.38 12.78 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.176 -177.557 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 145' ' ' VAL . . . . . 0.443 ' HA ' ' HA ' ' A' ' 135' ' ' SER . 46.8 t -103.25 99.65 8.83 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.166 -179.317 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 146' ' ' ASP . . . . . 0.549 ' C ' ' OD1' ' A' ' 146' ' ' ASP . 9.8 t0 -137.22 115.44 11.72 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.139 -155.877 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 147' ' ' GLY . . . . . 0.429 ' O ' ' HB3' ' A' ' 75' ' ' PHE . . . -131.85 156.79 22.1 Favored Glycine 0 CA--C 1.523 0.561 0 N-CA-C 111.182 -0.767 . . . . 0.0 111.182 168.448 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 148' ' ' PRO . . . . . . . . . . . . . 58.0 Cg_endo -70.06 163.37 38.75 Favored 'Trans proline' 0 N--CA 1.456 -0.677 0 C-N-CA 121.72 1.614 . . . . 0.0 111.259 -179.864 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 149' ' ' ARG . . . . . 0.444 ' HA ' ' HA ' ' A' ' 128' ' ' VAL . 82.1 mtp180 -76.55 -169.2 1.16 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.13 -177.12 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 150' ' ' LYS . . . . . . . . . . . . . 96.2 mttt -95.2 -17.14 22.0 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.221 175.597 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 151' ' ' GLN . . . . . . . . . . . . . 100.0 mm-40 -99.92 -2.84 33.71 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.106 175.051 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 152' ' ' VAL . . . . . . . . . . . . . 13.2 p . . . . . 0 C--O 1.219 -0.505 0 CA-C-O 117.993 -1.003 . . . . 0.0 111.161 178.855 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' B' B ' 64' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.523 0.542 0 N-CA-C 111.121 -0.792 . . . . 0.0 111.121 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' B' B ' 65' ' ' LEU . . . . . . . . . . . . . 96.5 mt -95.9 -10.99 27.38 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 120.845 0.355 . . . . 0.0 111.321 178.616 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 66' ' ' SER . . . . . . . . . . . . . 89.6 p -134.23 3.49 3.39 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.235 -178.27 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 67' ' ' GLU . . . . . . . . . . . . . 88.7 tt0 -149.15 135.11 18.97 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.083 179.608 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 68' ' ' MET . . . . . . . . . . . . . 62.1 ttp -74.4 122.29 22.75 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.129 179.414 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 69' ' ' ARG . . . . . . . . . . . . . 78.9 ttt180 -145.05 148.7 33.99 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.22 -172.204 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 70' ' ' LEU . . . . . . . . . . . . . 82.0 mt -78.74 138.71 38.37 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.275 173.769 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 71' ' ' GLU . . . . . 0.442 ' HB2' ' HB2' ' B' ' 74' ' ' ARG . 68.5 mm-40 -67.11 -175.6 0.46 Allowed 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.3 165.373 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 72' ' ' LYS . . . . . . . . . . . . . 87.9 tttt -39.91 -49.28 2.43 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.264 178.249 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 73' ' ' ASP . . . . . . . . . . . . . 55.4 p-10 -149.76 36.34 0.71 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.216 174.239 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 74' ' ' ARG . . . . . 0.442 ' HB2' ' HB2' ' B' ' 71' ' ' GLU . 87.5 mtm180 -140.89 174.31 10.64 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.256 -179.709 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 75' ' ' PHE . . . . . 0.434 ' HB3' ' O ' ' B' ' 147' ' ' GLY . 32.8 t80 -122.45 131.67 53.98 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.206 -179.126 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 76' ' ' SER . . . . . . . . . . . . . 95.2 p -142.59 164.29 30.51 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.296 174.717 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 77' ' ' VAL . . . . . 0.712 ' O ' HG13 ' B' ' 77' ' ' VAL . 9.7 p -155.69 108.58 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.221 178.178 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 78' ' ' ASN . . . . . . . . . . . . . 74.3 m-80 -92.45 117.67 30.17 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.19 -178.895 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 79' ' ' LEU . . . . . . . . . . . . . 82.7 mt -118.07 150.85 38.63 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.157 -171.42 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 80' ' ' ASP . . . . . . . . . . . . . 65.7 t0 -86.67 112.72 21.91 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.145 177.09 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 81' ' ' VAL . . . . . . . . . . . . . 27.2 m -136.3 22.44 0.89 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.362 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.274 -177.372 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 82' ' ' LYS . . . . . . . . . . . . . 88.8 tttt -68.55 -41.71 79.44 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.094 -0.503 . . . . 0.0 111.221 -174.223 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 83' ' ' HIS . . . . . . . . . . . . . 17.9 p-80 -79.08 -12.95 60.02 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.198 -176.065 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 84' ' ' PHE . . . . . . . . . . . . . 21.4 m-30 -72.71 153.15 41.3 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.188 177.181 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 85' ' ' SER . . . . . 0.429 ' O ' ' N ' ' B' ' 89' ' ' LEU . 72.4 m -100.45 147.86 34.16 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.167 172.319 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 86' ' ' PRO . . . . . . . . . . . . . 71.0 Cg_exo -54.32 -32.75 73.24 Favored 'Trans proline' 0 N--CA 1.459 -0.535 0 C-N-CA 121.644 1.563 . . . . 0.0 111.166 177.5 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 87' ' ' GLU . . . . . . . . . . . . . 99.0 mt-10 -83.32 -19.13 36.77 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.224 -178.825 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 88' ' ' GLU . . . . . . . . . . . . . 94.9 mt-10 -105.12 -11.49 16.56 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.289 -0.414 . . . . 0.0 111.055 -179.696 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 89' ' ' LEU . . . . . 0.429 ' N ' ' O ' ' B' ' 85' ' ' SER . 47.1 tp -97.23 113.25 24.84 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.327 -175.171 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 90' ' ' LYS . . . . . . . . . . . . . 97.5 mttt -112.42 147.05 37.29 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.322 -0.399 . . . . 0.0 111.261 174.337 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 91' ' ' VAL . . . . . 0.491 ' O ' HG13 ' B' ' 91' ' ' VAL . 6.7 p -131.02 114.65 27.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.307 173.803 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 92' ' ' LYS . . . . . . . . . . . . . 99.3 mttt -132.63 169.58 16.43 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.318 -0.401 . . . . 0.0 111.204 -172.725 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 93' ' ' VAL . . . . . . . . . . . . . 34.1 m -124.69 161.58 27.95 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.188 168.146 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 94' ' ' LEU . . . . . 0.429 ' HB3' ' HB ' ' B' ' 97' ' ' VAL . 47.3 tp -141.54 82.82 1.83 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.064 -0.516 . . . . 0.0 111.115 177.294 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 95' ' ' GLY . . . . . . . . . . . . . . . 79.51 -105.7 2.32 Favored Glycine 0 CA--C 1.522 0.519 0 N-CA-C 111.264 -0.734 . . . . 0.0 111.264 -176.593 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 96' ' ' ASP . . . . . . . . . . . . . 79.7 m-20 -90.42 -14.38 33.03 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.695 0.283 . . . . 0.0 111.123 169.697 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 97' ' ' VAL . . . . . 0.557 ' HA ' ' HA ' ' B' ' 123' ' ' ARG . 61.9 t -79.42 145.43 9.38 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.239 -173.725 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 98' ' ' ILE . . . . . . . . . . . . . 76.9 mt -110.1 83.11 0.65 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.148 168.14 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 99' ' ' GLU . . . . . . . . . . . . . 84.6 tt0 -77.98 92.31 4.31 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.245 -177.411 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 100' ' ' VAL . . . . . 0.574 ' HB ' ' HB2' ' B' ' 120' ' ' ARG . 59.7 t -79.12 95.03 1.87 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.241 173.708 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 101' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -89.52 68.74 7.84 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.149 -170.297 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 102' ' ' GLY . . . . . . . . . . . . . . . -85.23 167.47 41.47 Favored Glycine 0 CA--C 1.525 0.671 0 N-CA-C 111.092 -0.803 . . . . 0.0 111.092 179.188 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 103' ' ' LYS . . . . . 0.422 ' CB ' ' HA ' ' B' ' 117' ' ' GLU . 61.5 pttt -167.4 147.92 5.41 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.787 0.327 . . . . 0.0 111.195 170.003 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 104' ' ' HIS . . . . . . . . . . . . . 23.8 t-160 -122.9 108.85 13.44 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.279 168.916 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 105' ' ' GLU . . . . . . . . . . . . . 88.4 mt-10 -93.92 162.69 13.8 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.185 -179.977 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 106' ' ' GLU . . . . . . . . . . . . . 94.8 mt-10 48.28 57.44 6.17 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.234 -175.429 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 107' ' ' ARG . . . . . 0.437 ' HD3' HD11 ' B' ' 114' ' ' ILE . 72.8 ttt-85 -104.62 91.94 4.08 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.245 -168.484 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 108' ' ' GLN . . . . . . . . . . . . . 68.5 tp60 -40.91 118.94 1.05 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.287 -0.415 . . . . 0.0 111.137 176.997 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 109' ' ' ASP . . . . . . . . . . . . . 6.1 t0 -116.91 -170.01 1.75 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.168 179.216 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 110' ' ' GLU . . . . . . . . . . . . . 78.5 mm-40 -83.17 -15.97 48.49 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.359 -0.382 . . . . 0.0 111.315 177.81 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 111' ' ' HIS . . . . . 0.425 ' HB2' ' CZ ' ' A' ' 122' ' ' TYR . 99.1 m-70 -105.57 -16.06 14.81 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.2 179.741 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 112' ' ' GLY . . . . . . . . . . . . . . . 167.13 -108.53 0.31 Allowed Glycine 0 CA--C 1.523 0.553 0 N-CA-C 111.182 -0.767 . . . . 0.0 111.182 179.553 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 113' ' ' PHE . . . . . . . . . . . . . 35.5 p90 -150.2 158.13 43.83 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.829 0.347 . . . . 0.0 111.184 159.428 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 114' ' ' ILE . . . . . 0.437 HD11 ' HD3' ' B' ' 107' ' ' ARG . 44.8 pt -129.35 165.19 29.9 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.196 -171.686 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 115' ' ' SER . . . . . 0.507 ' HB3' ' HB2' ' A' ' 119' ' ' HIS . 12.8 t -123.16 115.51 21.9 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.182 164.262 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 116' ' ' ARG . . . . . . . . . . . . . 44.3 ttp180 -119.28 102.47 8.72 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.186 -166.562 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 117' ' ' GLU . . . . . 0.422 ' HA ' ' CB ' ' B' ' 103' ' ' LYS . 86.8 tt0 -105.62 129.26 53.9 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.189 -171.307 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 118' ' ' PHE . . . . . 0.425 ' HB3' ' HG3' ' B' ' 120' ' ' ARG . 67.5 m-85 -108.85 151.77 25.8 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.302 -0.408 . . . . 0.0 111.266 -172.502 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 119' ' ' HIS . . . . . 0.519 ' HB2' ' HB3' ' A' ' 115' ' ' SER . 26.4 m80 -133.0 70.22 1.47 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.138 162.703 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 120' ' ' ARG . . . . . 0.574 ' HB2' ' HB ' ' B' ' 100' ' ' VAL . 99.3 mtt180 -74.56 81.06 1.98 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.198 -161.147 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 121' ' ' LYS . . . . . . . . . . . . . 95.0 mttt -75.79 84.7 2.76 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.166 -177.471 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 122' ' ' TYR . . . . . 0.438 ' CZ ' ' HB3' ' B' ' 120' ' ' ARG . 16.1 m-85 -97.99 107.38 19.84 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.292 176.524 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 123' ' ' ARG . . . . . 0.557 ' HA ' ' HA ' ' B' ' 97' ' ' VAL . 59.5 ttt180 -88.25 143.24 27.15 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.217 -160.998 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 124' ' ' ILE . . . . . . . . . . . . . 78.8 mt -73.85 125.03 90.66 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.177 -170.419 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 125' ' ' PRO . . . . . . . . . . . . . 86.1 Cg_exo -49.9 140.88 30.15 Favored 'Trans proline' 0 N--CA 1.459 -0.554 0 C-N-CA 121.688 1.592 . . . . 0.0 111.134 174.182 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 126' ' ' ALA . . . . . . . . . . . . . . . -58.1 -21.34 45.86 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.267 -171.739 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 127' ' ' ASP . . . . . . . . . . . . . 93.6 m-20 -100.72 25.78 7.52 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.18 -176.538 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 128' ' ' VAL . . . . . 0.445 ' HA ' ' HA ' ' B' ' 149' ' ' ARG . 98.2 t -129.24 134.87 63.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.219 178.791 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 129' ' ' ASP . . . . . . . . . . . . . 64.1 t0 -87.34 115.96 64.51 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.191 -175.571 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 130' ' ' PRO . . . . . . . . . . . . . 80.2 Cg_exo -55.36 -33.2 84.57 Favored 'Trans proline' 0 N--CA 1.458 -0.616 0 C-N-CA 121.697 1.598 . . . . 0.0 111.224 -177.089 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 131' ' ' LEU . . . . . . . . . . . . . 97.8 mt -85.67 4.96 34.13 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.181 -168.404 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 132' ' ' THR . . . . . . . . . . . . . 76.1 p -115.32 4.24 14.38 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.275 -0.42 . . . . 0.0 111.209 178.093 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 133' ' ' ILE . . . . . 0.404 ' HA ' ' HA3' ' B' ' 147' ' ' GLY . 95.2 mt -94.11 126.16 46.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.185 -175.462 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 134' ' ' THR . . . . . . . . . . . . . 93.3 m -127.98 130.73 48.85 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.261 179.081 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 135' ' ' SER . . . . . 0.442 ' HA ' ' HA ' ' B' ' 145' ' ' VAL . 85.5 p -83.07 154.58 24.32 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.008 -0.542 . . . . 0.0 111.175 -179.583 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 136' ' ' SER . . . . . . . . . . . . . 43.7 t -146.89 132.39 18.68 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.269 176.451 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 137' ' ' LEU . . . . . . . . . . . . . 63.6 tp -108.42 126.15 52.56 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.332 -0.394 . . . . 0.0 111.155 -178.778 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 138' ' ' SER . . . . . . . . . . . . . 63.5 p -92.89 165.26 12.98 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.166 -178.819 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 139' ' ' SER . . . . . . . . . . . . . 88.1 p -73.96 -14.33 61.02 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.033 -0.53 . . . . 0.0 111.115 177.184 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 140' ' ' ASP . . . . . . . . . . . . . 92.8 m-20 -85.84 -5.01 59.31 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.233 178.063 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 141' ' ' GLY . . . . . . . . . . . . . . . 84.31 39.72 8.94 Favored Glycine 0 CA--C 1.523 0.557 0 N-CA-C 111.171 -0.772 . . . . 0.0 111.171 179.139 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 142' ' ' VAL . . . . . . . . . . . . . 79.7 t -116.1 121.25 67.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-O 120.79 0.329 . . . . 0.0 111.197 175.437 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 143' ' ' LEU . . . . . . . . . . . . . 61.6 tp -97.27 125.05 41.58 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.189 177.539 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 144' ' ' THR . . . . . . . . . . . . . 89.0 m -120.47 107.18 12.57 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.239 -177.589 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 145' ' ' VAL . . . . . 0.442 ' HA ' ' HA ' ' B' ' 135' ' ' SER . 46.4 t -103.11 99.74 9.0 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.213 -179.335 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 146' ' ' ASP . . . . . 0.543 ' OD1' ' C ' ' B' ' 146' ' ' ASP . 9.7 t0 -137.4 115.47 11.62 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.293 -0.412 . . . . 0.0 111.141 -155.795 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 147' ' ' GLY . . . . . 0.434 ' O ' ' HB3' ' B' ' 75' ' ' PHE . . . -131.97 156.84 22.15 Favored Glycine 0 CA--C 1.524 0.639 0 N-CA-C 111.158 -0.777 . . . . 0.0 111.158 168.548 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 148' ' ' PRO . . . . . . . . . . . . . 57.7 Cg_endo -70.18 163.24 39.34 Favored 'Trans proline' 0 N--CA 1.458 -0.595 0 C-N-CA 121.655 1.57 . . . . 0.0 111.245 -179.808 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 149' ' ' ARG . . . . . 0.445 ' HA ' ' HA ' ' B' ' 128' ' ' VAL . 82.0 mtp180 -76.42 -169.21 1.14 Allowed 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.229 -177.133 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 150' ' ' LYS . . . . . . . . . . . . . 96.2 mttt -95.22 -17.14 21.98 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.124 175.69 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 151' ' ' GLN . . . . . . . . . . . . . 99.9 mm-40 -99.96 -2.81 33.68 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.196 175.09 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 152' ' ' VAL . . . . . . . . . . . . . 13.4 p . . . . . 0 C--O 1.22 -0.496 0 CA-C-O 117.919 -1.039 . . . . 0.0 111.069 178.891 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.523 0.566 0 N-CA-C 111.283 -0.727 . . . . 0.0 111.283 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 94.9 mt -107.39 23.17 14.85 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-O 120.746 0.308 . . . . 0.0 111.168 -179.978 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 96.4 p -130.51 -10.6 4.05 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.169 178.9 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 97.0 mt-10 -101.25 163.38 12.31 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.146 -175.719 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 68' ' ' MET . . . . . . . . . . . . . 75.0 mtm -106.52 118.81 37.64 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.145 177.794 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 79.2 ttt180 -84.19 107.18 16.36 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.172 179.473 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 57.8 tp -106.93 97.17 6.98 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.231 175.36 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 71' ' ' GLU . . . . . 0.514 ' O ' ' C ' ' A' ' 72' ' ' LYS . 77.1 mm-40 -73.45 163.42 28.07 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.187 172.1 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 72' ' ' LYS . . . . . 0.514 ' C ' ' O ' ' A' ' 71' ' ' GLU . 88.1 tttt -28.19 -59.52 0.12 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.207 -179.388 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 52.4 p-10 -133.66 54.69 1.94 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.189 -179.044 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 80.3 ttt180 -161.51 125.85 3.39 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.117 171.876 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 75' ' ' PHE . . . . . . . . . . . . . 80.5 t80 -104.01 117.14 33.58 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.265 -177.889 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 33.5 t -127.22 141.1 51.82 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.19 -175.443 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 87.2 t -112.44 120.67 63.18 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.251 175.873 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 87.1 m-20 -90.76 132.47 35.82 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.293 -0.412 . . . . 0.0 111.292 175.455 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 79' ' ' LEU . . . . . 0.404 ' HB2' ' HB3' ' A' ' 143' ' ' LEU . 58.9 mt -134.05 142.65 47.66 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.206 -170.206 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 66.5 t0 -89.68 111.75 22.8 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.285 -0.416 . . . . 0.0 111.202 -175.543 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 81' ' ' VAL . . . . . 0.55 ' O ' HG12 ' A' ' 81' ' ' VAL . 53.0 t -119.37 -5.76 10.9 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.162 176.195 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 82' ' ' LYS . . . . . 0.496 ' C ' ' O ' ' A' ' 81' ' ' VAL . 87.6 tttt -27.47 -59.19 0.1 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.111 175.233 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 96.5 m-70 -82.72 -31.76 28.33 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.156 -175.053 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 84' ' ' PHE . . . . . 0.449 ' HB2' HG13 ' A' ' 81' ' ' VAL . 22.5 m-85 -71.51 151.52 43.84 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.28 -174.985 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 85' ' ' SER . . . . . 0.408 ' O ' ' HG ' ' A' ' 89' ' ' LEU . 70.2 m -99.21 137.71 20.44 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.028 174.594 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 81.9 Cg_exo -53.39 -34.32 70.62 Favored 'Trans proline' 0 N--CA 1.457 -0.618 0 C-N-CA 121.656 1.571 . . . . 0.0 111.178 177.214 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 99.3 mt-10 -78.87 -15.48 58.29 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.229 -0.442 . . . . 0.0 111.145 178.734 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 48.4 mt-10 -99.08 -13.22 19.92 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.106 177.815 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 89' ' ' LEU . . . . . 0.408 ' HG ' ' O ' ' A' ' 85' ' ' SER . 59.5 mt -72.44 132.52 44.01 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.319 -0.401 . . . . 0.0 111.196 178.148 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 98.7 mttt -122.18 45.55 2.32 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.154 170.662 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 90.1 t -66.37 120.35 13.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.139 -173.589 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 97.2 mttt -140.9 172.72 12.29 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.132 -168.913 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 33.4 m -123.71 164.99 20.81 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.063 -0.517 . . . . 0.0 111.213 167.567 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 94' ' ' LEU . . . . . 0.403 ' HB3' ' CG2' ' A' ' 97' ' ' VAL . 27.1 tp -144.45 71.21 1.3 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.22 177.646 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 82.74 -104.17 2.51 Favored Glycine 0 CA--C 1.523 0.58 0 N-CA-C 111.176 -0.769 . . . . 0.0 111.176 -179.378 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 48.6 p-10 -102.82 23.35 12.27 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 120.734 0.302 . . . . 0.0 111.164 -177.523 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 97' ' ' VAL . . . . . 0.415 HG21 ' HD3' ' A' ' 121' ' ' LYS . 27.5 m -134.26 162.77 38.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.276 175.195 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 98' ' ' ILE . . . . . 0.435 ' HB ' ' HB2' ' A' ' 122' ' ' TYR . 62.1 mt -119.4 91.07 1.72 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.4 0 CA-C-N 116.319 -0.401 . . . . 0.0 111.227 175.214 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 87.3 tt0 -71.88 83.38 0.93 Allowed 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.158 -179.011 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 100' ' ' VAL . . . . . . . . . . . . . 62.1 t -75.74 80.48 0.59 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.211 179.618 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 101' ' ' HIS . . . . . . . . . . . . . 64.5 t-80 -87.37 141.88 28.3 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.248 178.962 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 102' ' ' GLY . . . . . 0.418 ' O ' ' HB3' ' A' ' 103' ' ' LYS . . . -157.8 -175.1 28.34 Favored Glycine 0 CA--C 1.523 0.585 0 N-CA-C 111.173 -0.771 . . . . 0.0 111.173 -179.418 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 103' ' ' LYS . . . . . 0.418 ' HB3' ' O ' ' A' ' 102' ' ' GLY . 65.5 pttt -177.17 152.18 0.86 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.831 0.348 . . . . 0.0 111.081 169.295 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 104' ' ' HIS . . . . . . . . . . . . . 8.6 p-80 -120.73 153.02 37.54 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.08 -0.509 . . . . 0.0 111.223 161.729 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 97.3 mt-10 -133.44 150.77 51.75 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.166 179.745 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 81.5 mm-40 45.84 58.18 4.55 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.141 -0.482 . . . . 0.0 111.226 -179.612 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 107' ' ' ARG . . . . . 0.558 ' HB3' HG13 ' A' ' 114' ' ' ILE . 7.7 tpt180 -104.46 82.47 1.92 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.096 -171.355 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 108' ' ' GLN . . . . . . . . . . . . . 70.6 tp60 -59.62 123.45 16.93 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.119 179.98 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 44.3 p30 -133.59 -158.17 0.87 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.212 179.059 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 99.9 mt-10 -69.16 -23.06 63.9 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.295 -0.411 . . . . 0.0 111.21 -176.923 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 111' ' ' HIS . . . . . 0.408 ' HB3' ' CE2' ' B' ' 122' ' ' TYR . 71.0 m80 -129.21 68.19 1.42 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.235 -171.422 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 84.93 -154.32 29.09 Favored Glycine 0 CA--C 1.524 0.61 0 N-CA-C 111.173 -0.771 . . . . 0.0 111.173 -174.704 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 113' ' ' PHE . . . . . 0.401 ' CD1' ' C ' ' A' ' 113' ' ' PHE . 3.0 p90 -121.06 150.22 41.52 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.768 0.318 . . . . 0.0 111.159 162.305 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 114' ' ' ILE . . . . . 0.558 HG13 ' HB3' ' A' ' 107' ' ' ARG . 37.4 pt -119.96 150.87 22.52 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.124 -175.248 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 42.7 t -142.86 108.01 4.97 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.227 174.835 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 116' ' ' ARG . . . . . . . . . . . . . 72.4 mtp180 -130.28 137.91 50.22 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.208 -165.311 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 72.9 mm-40 -85.12 161.74 19.54 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.189 168.536 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 118' ' ' PHE . . . . . . . . . . . . . 29.1 t80 -139.96 141.16 36.45 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.225 -178.676 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 119' ' ' HIS . . . . . 0.4 ' O ' ' CG ' ' A' ' 119' ' ' HIS . 15.7 t-160 -162.53 60.95 0.21 Allowed 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.31 -0.404 . . . . 0.0 111.265 -172.602 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 40.4 ttm180 -89.88 103.67 16.3 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.248 178.824 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 121' ' ' LYS . . . . . 0.415 ' HD3' HG21 ' A' ' 97' ' ' VAL . 41.1 ttmt -96.47 106.89 19.21 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.299 -178.399 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 122' ' ' TYR . . . . . 0.435 ' HB2' ' HB ' ' A' ' 98' ' ' ILE . 37.3 m-85 -76.23 160.79 29.34 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.282 175.814 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 123' ' ' ARG . . . . . . . . . . . . . 11.1 mpt_? -107.11 123.5 48.33 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.124 166.365 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 124' ' ' ILE . . . . . . . . . . . . . 90.7 mt -73.75 125.1 90.68 Favored Pre-proline 0 C--N 1.328 -0.347 0 CA-C-N 116.043 -0.526 . . . . 0.0 111.274 -175.18 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 125' ' ' PRO . . . . . . . . . . . . . 78.7 Cg_exo -52.06 144.14 38.45 Favored 'Trans proline' 0 N--CA 1.457 -0.633 0 C-N-CA 121.768 1.645 . . . . 0.0 111.23 175.009 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . -58.02 -22.88 51.83 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.237 -177.544 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 127' ' ' ASP . . . . . . . . . . . . . 81.1 m-20 -97.67 9.23 43.07 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.196 -176.957 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 128' ' ' VAL . . . . . . . . . . . . . 98.3 t -112.29 122.84 67.3 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.278 170.874 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 60.1 t0 -85.33 122.11 73.72 Favored Pre-proline 0 C--N 1.33 -0.28 0 CA-C-N 116.091 -0.504 . . . . 0.0 111.253 176.794 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 130' ' ' PRO . . . . . 0.433 ' HA ' HD12 ' A' ' 133' ' ' ILE . 74.7 Cg_exo -50.25 -34.22 39.21 Favored 'Trans proline' 0 C--N 1.328 -0.539 0 C-N-CA 121.738 1.625 . . . . 0.0 111.192 -178.71 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 131' ' ' LEU . . . . . . . . . . . . . 95.7 mt -73.79 -22.39 59.84 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.282 -175.526 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 132' ' ' THR . . . . . . . . . . . . . 77.5 p -94.14 2.17 56.0 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.264 -177.264 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 133' ' ' ILE . . . . . 0.433 HD12 ' HA ' ' A' ' 130' ' ' PRO . 93.9 mt -85.11 122.6 38.42 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.262 177.972 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 134' ' ' THR . . . . . . . . . . . . . 60.9 p -109.73 168.35 9.48 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.307 -0.406 . . . . 0.0 111.105 175.989 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 135' ' ' SER . . . . . . . . . . . . . 35.7 t -144.56 135.69 25.19 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.265 -176.711 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 136' ' ' SER . . . . . . . . . . . . . 99.6 p -145.19 150.99 37.71 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.17 177.284 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 137' ' ' LEU . . . . . . . . . . . . . 56.7 tp -133.74 129.27 36.45 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.126 -172.833 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 138' ' ' SER . . . . . . . . . . . . . 60.0 p -88.33 166.65 14.14 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.128 177.931 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 139' ' ' SER . . . . . . . . . . . . . 89.4 p -73.95 -13.16 60.84 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.181 177.308 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 140' ' ' ASP . . . . . . . . . . . . . 92.7 m-20 -84.9 -8.56 58.72 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.062 177.878 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 141' ' ' GLY . . . . . . . . . . . . . . . 89.97 31.16 11.32 Favored Glycine 0 CA--C 1.524 0.607 0 N-CA-C 111.21 -0.756 . . . . 0.0 111.21 -179.772 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 142' ' ' VAL . . . . . . . . . . . . . 66.6 t -99.61 104.87 16.64 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.364 0 CA-C-O 120.802 0.334 . . . . 0.0 111.134 174.488 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 143' ' ' LEU . . . . . 0.404 ' HB3' ' HB2' ' A' ' 79' ' ' LEU . 56.3 tp -102.52 126.71 49.67 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.19 -177.807 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 144' ' ' THR . . . . . . . . . . . . . 93.6 m -122.97 117.38 25.38 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.175 -176.669 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 145' ' ' VAL . . . . . . . . . . . . . 57.4 t -121.03 113.4 39.58 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.101 177.75 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 146' ' ' ASP . . . . . . . . . . . . . 9.9 p-10 -142.75 134.91 27.35 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.233 -159.437 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 147' ' ' GLY . . . . . . . . . . . . . . . -123.97 105.12 0.87 Allowed Glycine 0 CA--C 1.523 0.553 0 N-CA-C 111.262 -0.735 . . . . 0.0 111.262 173.152 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 148' ' ' PRO . . . . . 0.415 ' O ' ' C ' ' A' ' 149' ' ' ARG . 87.5 Cg_exo -66.43 -21.73 53.18 Favored 'Trans proline' 0 N--CA 1.458 -0.6 0 C-N-CA 121.688 1.592 . . . . 0.0 111.251 -162.803 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 149' ' ' ARG . . . . . 0.415 ' C ' ' O ' ' A' ' 148' ' ' PRO . 72.1 ttt180 -39.41 -51.22 2.11 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.193 -172.197 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 150' ' ' LYS . . . . . 0.4 ' C ' ' O ' ' A' ' 149' ' ' ARG . 58.3 tptt -36.93 110.23 0.11 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.137 178.578 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 151' ' ' GLN . . . . . . . . . . . . . 97.6 mm-40 -94.25 162.44 13.85 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.197 177.899 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 152' ' ' VAL . . . . . . . . . . . . . 13.5 p . . . . . 0 C--O 1.22 -0.481 0 CA-C-O 117.8 -1.095 . . . . 0.0 111.194 176.701 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' B' B ' 64' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.523 0.583 0 N-CA-C 111.296 -0.721 . . . . 0.0 111.296 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' B' B ' 65' ' ' LEU . . . . . . . . . . . . . 95.0 mt -107.43 23.23 14.77 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 120.807 0.337 . . . . 0.0 111.169 -179.943 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 66' ' ' SER . . . . . . . . . . . . . 97.2 p -130.55 -10.61 4.03 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.214 178.886 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 67' ' ' GLU . . . . . . . . . . . . . 97.1 mt-10 -101.4 163.44 12.27 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.149 -175.718 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 68' ' ' MET . . . . . . . . . . . . . 75.0 mtm -106.58 118.74 37.47 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.146 177.897 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 69' ' ' ARG . . . . . . . . . . . . . 79.2 ttt180 -84.16 107.28 16.39 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.178 179.418 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 70' ' ' LEU . . . . . . . . . . . . . 57.6 tp -106.97 97.14 6.95 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.248 175.289 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 71' ' ' GLU . . . . . 0.502 ' O ' ' C ' ' B' ' 72' ' ' LYS . 77.2 mm-40 -73.38 163.51 27.97 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.091 -0.504 . . . . 0.0 111.146 172.08 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 72' ' ' LYS . . . . . 0.502 ' C ' ' O ' ' B' ' 71' ' ' GLU . 88.0 tttt -28.19 -59.64 0.12 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.19 -179.436 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 73' ' ' ASP . . . . . . . . . . . . . 52.3 p-10 -133.61 54.9 1.92 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.266 -0.425 . . . . 0.0 111.136 -179.101 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 74' ' ' ARG . . . . . . . . . . . . . 80.3 ttt180 -161.63 125.74 3.32 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.189 171.847 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 75' ' ' PHE . . . . . . . . . . . . . 80.5 t80 -103.99 117.21 33.75 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.17 -177.741 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 76' ' ' SER . . . . . . . . . . . . . 33.4 t -127.34 141.13 51.78 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.219 -175.513 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 77' ' ' VAL . . . . . . . . . . . . . 87.1 t -112.58 120.77 63.52 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.121 176.021 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 78' ' ' ASN . . . . . . . . . . . . . 87.1 m-20 -90.86 132.53 35.84 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.18 -0.463 . . . . 0.0 111.208 175.547 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 79' ' ' LEU . . . . . 0.404 ' HB2' ' HB3' ' B' ' 143' ' ' LEU . 58.3 mt -134.15 142.55 47.5 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.182 -170.179 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 80' ' ' ASP . . . . . . . . . . . . . 66.6 t0 -89.56 111.78 22.79 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.268 -175.577 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 81' ' ' VAL . . . . . 0.54 HG12 ' O ' ' B' ' 81' ' ' VAL . 54.6 t -119.25 -6.02 11.05 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.291 176.2 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 82' ' ' LYS . . . . . 0.482 ' C ' ' O ' ' B' ' 81' ' ' VAL . 87.6 tttt -27.54 -59.03 0.1 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.148 175.36 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 83' ' ' HIS . . . . . . . . . . . . . 96.6 m-70 -82.72 -31.74 28.33 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.947 0.403 . . . . 0.0 111.279 -175.181 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 84' ' ' PHE . . . . . 0.444 ' HB2' HG13 ' B' ' 81' ' ' VAL . 22.5 m-85 -71.49 151.5 43.87 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.103 -174.95 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 85' ' ' SER . . . . . 0.406 ' O ' ' HG ' ' B' ' 89' ' ' LEU . 69.0 m -99.09 137.68 20.48 Favored Pre-proline 0 C--N 1.331 -0.233 0 CA-C-N 116.121 -0.491 . . . . 0.0 111.262 174.302 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 86' ' ' PRO . . . . . . . . . . . . . 82.1 Cg_exo -53.37 -34.46 71.03 Favored 'Trans proline' 0 N--CA 1.457 -0.652 0 C-N-CA 121.788 1.659 . . . . 0.0 111.063 177.286 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 87' ' ' GLU . . . . . . . . . . . . . 99.2 mt-10 -78.68 -15.53 58.37 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.308 -0.405 . . . . 0.0 111.207 178.664 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 88' ' ' GLU . . . . . . . . . . . . . 48.3 mt-10 -98.99 -13.25 19.99 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.233 177.8 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 89' ' ' LEU . . . . . 0.406 ' HG ' ' O ' ' B' ' 85' ' ' SER . 58.3 mt -72.58 132.48 43.83 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.191 178.165 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 90' ' ' LYS . . . . . . . . . . . . . 98.6 mttt -122.01 45.46 2.33 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.103 -0.499 . . . . 0.0 111.305 170.67 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 91' ' ' VAL . . . . . . . . . . . . . 90.3 t -66.34 120.25 13.11 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.139 -173.464 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 92' ' ' LYS . . . . . . . . . . . . . 97.2 mttt -140.89 172.74 12.26 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.244 -168.965 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 93' ' ' VAL . . . . . . . . . . . . . 33.3 m -123.65 164.97 20.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.278 167.591 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 94' ' ' LEU . . . . . 0.404 ' HB3' ' CG2' ' B' ' 97' ' ' VAL . 27.3 tp -144.45 71.02 1.3 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.181 177.764 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 95' ' ' GLY . . . . . . . . . . . . . . . 82.77 -104.15 2.52 Favored Glycine 0 CA--C 1.523 0.586 0 N-CA-C 111.207 -0.757 . . . . 0.0 111.207 -179.395 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 96' ' ' ASP . . . . . . . . . . . . . 48.7 p-10 -102.78 23.39 12.18 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.776 0.322 . . . . 0.0 111.158 -177.555 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 97' ' ' VAL . . . . . 0.404 ' CG2' ' HB3' ' B' ' 94' ' ' LEU . 27.6 m -134.35 162.84 38.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.333 -0.394 . . . . 0.0 111.187 175.151 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 98' ' ' ILE . . . . . 0.45 ' HB ' ' HB2' ' B' ' 122' ' ' TYR . 62.8 mt -119.55 91.08 1.72 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.131 175.359 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 99' ' ' GLU . . . . . . . . . . . . . 87.3 tt0 -71.86 83.38 0.92 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.103 -179.002 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 100' ' ' VAL . . . . . . . . . . . . . 61.8 t -75.78 80.62 0.6 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.211 179.592 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 101' ' ' HIS . . . . . . . . . . . . . 64.0 t-80 -87.37 141.83 28.34 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.322 178.887 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 102' ' ' GLY . . . . . 0.421 ' O ' ' HB3' ' B' ' 103' ' ' LYS . . . -157.77 -175.04 28.24 Favored Glycine 0 CA--C 1.523 0.583 0 N-CA-C 111.145 -0.782 . . . . 0.0 111.145 -179.423 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 103' ' ' LYS . . . . . 0.421 ' HB3' ' O ' ' B' ' 102' ' ' GLY . 65.4 pttt -177.2 152.23 0.86 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.822 0.344 . . . . 0.0 111.129 169.317 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 104' ' ' HIS . . . . . . . . . . . . . 8.7 p-80 -120.85 153.03 37.67 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.251 161.754 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 105' ' ' GLU . . . . . . . . . . . . . 97.3 mt-10 -133.44 150.83 51.75 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.181 179.781 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 106' ' ' GLU . . . . . . . . . . . . . 81.5 mm-40 45.74 58.21 4.48 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.227 -179.606 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 107' ' ' ARG . . . . . 0.545 ' HB3' HG13 ' B' ' 114' ' ' ILE . 7.7 tpt180 -104.37 82.28 1.91 Allowed 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.182 -171.357 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 108' ' ' GLN . . . . . . . . . . . . . 70.7 tp60 -59.55 123.23 16.2 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.209 -179.968 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 109' ' ' ASP . . . . . . . . . . . . . 44.7 p30 -133.4 -158.2 0.87 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.134 -0.484 . . . . 0.0 111.289 179.05 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 110' ' ' GLU . . . . . . . . . . . . . 99.9 mt-10 -68.96 -23.14 64.1 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.327 -0.397 . . . . 0.0 111.177 -176.931 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 111' ' ' HIS . . . . . . . . . . . . . 71.2 m80 -129.24 68.03 1.42 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.162 -171.217 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 112' ' ' GLY . . . . . . . . . . . . . . . 85.07 -154.31 28.89 Favored Glycine 0 CA--C 1.524 0.649 0 N-CA-C 111.189 -0.765 . . . . 0.0 111.189 -174.755 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 113' ' ' PHE . . . . . . . . . . . . . 3.0 p90 -121.06 150.36 41.3 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 120.863 0.363 . . . . 0.0 111.129 162.156 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 114' ' ' ILE . . . . . 0.545 HG13 ' HB3' ' B' ' 107' ' ' ARG . 37.5 pt -120.05 150.88 22.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.185 -175.323 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 115' ' ' SER . . . . . . . . . . . . . 42.6 t -142.85 107.91 4.95 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.187 174.924 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 116' ' ' ARG . . . . . . . . . . . . . 72.3 mtp180 -130.22 137.92 50.3 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.075 -0.511 . . . . 0.0 111.235 -165.429 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 117' ' ' GLU . . . . . . . . . . . . . 72.9 mm-40 -85.06 161.8 19.57 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.218 168.532 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 118' ' ' PHE . . . . . . . . . . . . . 29.3 t80 -140.06 141.11 36.26 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.229 -0.442 . . . . 0.0 111.211 -178.684 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 119' ' ' HIS . . . . . . . . . . . . . 15.6 t-160 -162.42 61.01 0.22 Allowed 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.197 -172.595 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 120' ' ' ARG . . . . . . . . . . . . . 40.4 ttm180 -89.93 103.61 16.26 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.192 178.884 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 121' ' ' LYS . . . . . 0.404 ' HD3' HG21 ' B' ' 97' ' ' VAL . 41.1 ttmt -96.48 107.02 19.36 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.232 -178.39 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 122' ' ' TYR . . . . . 0.45 ' HB2' ' HB ' ' B' ' 98' ' ' ILE . 37.5 m-85 -76.33 160.78 29.29 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.133 175.827 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 123' ' ' ARG . . . . . . . . . . . . . 11.1 mpt_? -107.06 123.62 48.48 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.133 166.259 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 124' ' ' ILE . . . . . . . . . . . . . 90.8 mt -73.91 125.26 90.42 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-N 116.086 -0.507 . . . . 0.0 111.06 -175.117 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 125' ' ' PRO . . . . . . . . . . . . . 77.9 Cg_exo -52.14 144.25 38.74 Favored 'Trans proline' 0 N--CA 1.458 -0.567 0 C-N-CA 121.778 1.652 . . . . 0.0 111.076 174.893 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 126' ' ' ALA . . . . . . . . . . . . . . . -58.15 -22.85 52.98 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.075 -0.511 . . . . 0.0 111.105 -177.535 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 127' ' ' ASP . . . . . . . . . . . . . 81.1 m-20 -97.58 9.18 43.15 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.292 -0.413 . . . . 0.0 111.223 -176.953 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 128' ' ' VAL . . . . . . . . . . . . . 98.5 t -112.32 122.7 67.06 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.304 170.986 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 129' ' ' ASP . . . . . . . . . . . . . 60.1 t0 -85.26 122.09 73.82 Favored Pre-proline 0 C--N 1.33 -0.275 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.215 176.796 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 130' ' ' PRO . . . . . 0.425 ' HA ' HD12 ' B' ' 133' ' ' ILE . 74.3 Cg_exo -50.3 -34.1 39.27 Favored 'Trans proline' 0 C--N 1.327 -0.573 0 C-N-CA 121.676 1.584 . . . . 0.0 111.147 -178.745 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 131' ' ' LEU . . . . . . . . . . . . . 95.7 mt -73.89 -22.38 59.73 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.249 -175.492 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 132' ' ' THR . . . . . . . . . . . . . 76.8 p -94.16 2.17 55.99 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.175 -177.215 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 133' ' ' ILE . . . . . 0.425 HD12 ' HA ' ' B' ' 130' ' ' PRO . 93.7 mt -85.05 122.45 38.22 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.231 177.974 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 134' ' ' THR . . . . . . . . . . . . . 62.6 p -109.72 168.48 9.38 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.343 -0.39 . . . . 0.0 111.112 175.896 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 135' ' ' SER . . . . . . . . . . . . . 35.2 t -144.6 135.7 25.13 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.191 -176.673 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 136' ' ' SER . . . . . . . . . . . . . 99.6 p -145.07 150.95 37.75 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.242 177.265 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 137' ' ' LEU . . . . . . . . . . . . . 56.7 tp -133.72 129.17 36.35 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.243 -172.889 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 138' ' ' SER . . . . . . . . . . . . . 59.0 p -88.23 166.55 14.27 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.266 177.949 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 139' ' ' SER . . . . . . . . . . . . . 89.0 p -73.78 -13.38 60.94 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.264 -0.426 . . . . 0.0 111.197 177.273 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 140' ' ' ASP . . . . . . . . . . . . . 92.7 m-20 -84.71 -8.58 58.8 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.295 177.822 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 141' ' ' GLY . . . . . . . . . . . . . . . 90.04 31.02 11.4 Favored Glycine 0 CA--C 1.523 0.569 0 N-CA-C 111.227 -0.749 . . . . 0.0 111.227 -179.858 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 142' ' ' VAL . . . . . . . . . . . . . 66.6 t -99.51 104.9 16.66 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-O 120.812 0.339 . . . . 0.0 111.175 174.537 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 143' ' ' LEU . . . . . 0.404 ' HB3' ' HB2' ' B' ' 79' ' ' LEU . 56.3 tp -102.6 126.67 49.76 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.197 -177.731 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 144' ' ' THR . . . . . . . . . . . . . 93.0 m -122.94 117.33 25.28 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.295 -176.721 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 145' ' ' VAL . . . . . . . . . . . . . 57.8 t -121.0 113.4 39.6 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.24 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.168 177.735 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 146' ' ' ASP . . . . . . . . . . . . . 9.9 p-10 -142.63 134.96 27.63 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.178 -159.419 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 147' ' ' GLY . . . . . . . . . . . . . . . -123.94 105.14 0.87 Allowed Glycine 0 CA--C 1.523 0.532 0 N-CA-C 111.253 -0.739 . . . . 0.0 111.253 173.106 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 148' ' ' PRO . . . . . 0.405 ' O ' ' C ' ' B' ' 149' ' ' ARG . 88.1 Cg_exo -66.52 -21.67 52.63 Favored 'Trans proline' 0 N--CA 1.458 -0.615 0 C-N-CA 121.76 1.64 . . . . 0.0 111.227 -162.784 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 149' ' ' ARG . . . . . 0.405 ' C ' ' O ' ' B' ' 148' ' ' PRO . 72.2 ttt180 -39.46 -51.31 2.15 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.175 -172.215 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 150' ' ' LYS . . . . . . . . . . . . . 58.3 tptt -36.88 110.27 0.11 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.109 178.61 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 151' ' ' GLN . . . . . . . . . . . . . 97.7 mm-40 -94.29 162.44 13.84 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.162 177.932 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 152' ' ' VAL . . . . . . . . . . . . . 13.7 p . . . . . 0 C--O 1.22 -0.467 0 CA-C-O 118.034 -0.984 . . . . 0.0 111.173 176.658 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.522 0.496 0 N-CA-C 111.217 -0.753 . . . . 0.0 111.217 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 91.9 mt -90.19 151.44 21.56 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.702 0.287 . . . . 0.0 111.233 -179.427 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 89.3 p -82.35 -11.66 58.45 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.264 -0.425 . . . . 0.0 111.285 176.961 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 88.4 tt0 -60.36 129.78 43.37 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.197 179.393 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 68' ' ' MET . . . . . . . . . . . . . 1.9 pmm? -82.81 157.8 23.03 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.084 -0.507 . . . . 0.0 111.214 176.08 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 60.0 ttp180 -127.68 139.79 52.49 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.145 -178.208 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 55.8 mt -99.93 100.78 11.74 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.095 169.717 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 71' ' ' GLU . . . . . 0.548 ' O ' ' C ' ' A' ' 72' ' ' LYS . 95.8 mt-10 -68.38 -176.3 0.74 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.115 174.367 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 72' ' ' LYS . . . . . 0.548 ' C ' ' O ' ' A' ' 71' ' ' GLU . 88.0 tttt -27.15 -60.17 0.09 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.065 -168.516 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 58.7 p30 -142.54 26.78 1.74 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.159 -172.683 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 15.6 ptm180 -146.15 171.29 15.13 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.201 -172.01 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 75' ' ' PHE . . . . . . . . . . . . . 10.5 p90 -119.99 146.96 45.36 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.093 -0.503 . . . . 0.0 111.311 -179.054 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 36.2 t -139.37 121.3 15.57 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.138 179.819 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 96.9 t -99.47 110.62 27.07 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.372 0 CA-C-N 116.309 -0.405 . . . . 0.0 111.129 -174.36 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 77.0 m-20 -92.59 104.94 17.19 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.183 -179.732 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 86.3 mt -97.04 133.51 41.61 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.188 -173.531 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 67.4 t0 -83.55 104.47 13.7 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.235 174.54 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 34.6 m -131.72 3.77 1.81 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.411 0 CA-C-N 116.291 -0.413 . . . . 0.0 111.171 -171.746 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 88.4 tttt -47.32 -48.84 25.08 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.357 -0.383 . . . . 0.0 111.251 177.351 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 20.7 p-80 -77.29 -20.53 54.9 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.174 -174.667 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 84' ' ' PHE . . . . . . . . . . . . . 20.3 m-30 -72.26 145.25 48.04 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.215 178.481 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 85' ' ' SER . . . . . 0.446 ' O ' ' N ' ' A' ' 89' ' ' LEU . 72.3 m -100.29 148.82 35.43 Favored Pre-proline 0 C--N 1.328 -0.336 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.212 175.532 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 71.8 Cg_exo -54.19 -33.21 73.91 Favored 'Trans proline' 0 N--CA 1.458 -0.594 0 C-N-CA 121.674 1.583 . . . . 0.0 111.206 177.429 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 99.1 mt-10 -80.28 -18.17 50.07 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.294 -0.412 . . . . 0.0 111.203 -179.885 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 60.4 mt-10 -104.87 -13.61 15.77 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.248 178.978 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 89' ' ' LEU . . . . . 0.446 ' N ' ' O ' ' A' ' 85' ' ' SER . 58.6 tp -102.85 112.72 25.66 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.228 -169.196 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 98.3 mttt -119.53 81.47 1.73 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.214 178.648 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 86.1 t -90.75 127.57 43.12 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-N 116.311 -0.404 . . . . 0.0 111.069 177.374 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 87.7 tttt -149.67 128.77 12.72 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.168 -171.862 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 74.5 t -72.65 97.47 0.76 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.191 171.864 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 94' ' ' LEU . . . . . 0.473 ' HB3' HG23 ' A' ' 97' ' ' VAL . 59.8 tp -97.34 78.42 2.71 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.083 -0.508 . . . . 0.0 111.238 -162.014 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 70.3 -106.66 1.9 Allowed Glycine 0 CA--C 1.523 0.533 0 N-CA-C 111.282 -0.727 . . . . 0.0 111.282 175.483 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 49.6 p-10 -95.93 2.53 53.61 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.771 0.32 . . . . 0.0 111.196 -177.78 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 97' ' ' VAL . . . . . 0.516 ' HA ' ' HA ' ' A' ' 123' ' ' ARG . 31.9 m -128.7 175.12 10.89 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.079 -0.509 . . . . 0.0 111.203 172.479 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 98' ' ' ILE . . . . . 0.415 ' HB ' ' HB3' ' A' ' 122' ' ' TYR . 72.0 mt -116.97 92.22 2.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.118 174.579 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 83.0 tt0 -62.51 130.66 46.14 Favored 'General case' 0 C--N 1.328 -0.37 0 CA-C-N 116.294 -0.412 . . . . 0.0 111.216 -176.799 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 100' ' ' VAL . . . . . 0.491 ' HB ' ' HB2' ' A' ' 120' ' ' ARG . 28.7 t -119.43 91.77 1.93 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.258 166.563 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 101' ' ' HIS . . . . . . . . . . . . . 57.8 t-80 -103.05 64.75 0.85 Allowed 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.209 -171.842 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 102' ' ' GLY . . . . . 0.401 ' HA2' ' HA ' ' A' ' 89' ' ' LEU . . . -95.14 176.38 34.32 Favored Glycine 0 CA--C 1.523 0.533 0 N-CA-C 111.282 -0.727 . . . . 0.0 111.282 -175.436 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 103' ' ' LYS . . . . . 0.444 ' HB3' ' HA ' ' A' ' 117' ' ' GLU . 64.8 pttt -174.71 155.07 2.09 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.797 0.332 . . . . 0.0 111.124 169.241 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 104' ' ' HIS . . . . . 0.469 ' ND1' ' C ' ' A' ' 104' ' ' HIS . 0.3 OUTLIER -134.36 102.46 5.35 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.074 -0.512 . . . . 0.0 111.187 168.236 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 105' ' ' GLU . . . . . 0.417 ' O ' ' HB2' ' A' ' 106' ' ' GLU . 88.6 tt0 -81.45 144.44 31.38 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.184 179.581 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 106' ' ' GLU . . . . . 0.426 ' HA ' ' CD2' ' A' ' 113' ' ' PHE . 94.2 mt-10 63.27 52.96 2.31 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.18 -173.531 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 107' ' ' ARG . . . . . 0.457 ' HB3' HG13 ' A' ' 114' ' ' ILE . 60.3 ttt-85 -108.64 92.07 3.9 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.296 -0.411 . . . . 0.0 111.195 -174.17 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 108' ' ' GLN . . . . . . . . . . . . . 66.4 tt0 -58.39 120.33 8.57 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.237 177.656 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 53.1 p30 -160.36 -149.79 0.2 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.178 -173.089 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 88.5 tt0 -45.5 -67.36 0.29 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.176 -176.026 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 111' ' ' HIS . . . . . . . . . . . . . 98.0 m-70 -96.76 78.19 2.88 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.203 -175.006 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 112' ' ' GLY . . . . . 0.424 ' HA3' ' HA ' ' B' ' 122' ' ' TYR . . . 69.63 -111.85 4.11 Favored Glycine 0 CA--C 1.524 0.598 0 N-CA-C 111.218 -0.753 . . . . 0.0 111.218 -179.616 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 113' ' ' PHE . . . . . 0.426 ' CD2' ' HA ' ' A' ' 106' ' ' GLU . 46.7 p90 -138.3 153.92 49.02 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.814 0.34 . . . . 0.0 111.154 162.005 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 114' ' ' ILE . . . . . 0.656 ' C ' HD12 ' A' ' 114' ' ' ILE . 2.3 pp -120.69 164.85 16.77 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.16 -167.59 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 46.9 t -138.73 99.19 3.74 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.292 161.858 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 116' ' ' ARG . . . . . . . . . . . . . 89.1 mtm180 -112.83 111.47 22.26 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.238 -167.591 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 117' ' ' GLU . . . . . 0.454 ' HB3' ' HB3' ' B' ' 117' ' ' GLU . 86.3 tt0 -85.57 104.53 15.41 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.344 -0.389 . . . . 0.0 111.189 176.627 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 118' ' ' PHE . . . . . . . . . . . . . 74.4 m-85 -84.18 163.26 19.85 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.214 -173.86 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 119' ' ' HIS . . . . . . . . . . . . . 9.4 t-160 -163.6 62.45 0.17 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.067 178.902 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 120' ' ' ARG . . . . . 0.491 ' HB2' ' HB ' ' A' ' 100' ' ' VAL . 79.8 mtt-85 -84.53 103.2 13.46 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.222 -172.621 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 121' ' ' LYS . . . . . . . . . . . . . 97.2 mttt -85.6 85.6 7.41 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.221 175.393 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 122' ' ' TYR . . . . . 0.443 ' CD1' ' C ' ' A' ' 122' ' ' TYR . 4.7 t80 -81.39 109.86 16.28 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.296 -0.411 . . . . 0.0 111.186 179.382 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 123' ' ' ARG . . . . . 0.516 ' HA ' ' HA ' ' A' ' 97' ' ' VAL . 7.4 ttp180 -77.44 139.76 39.72 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.284 -159.998 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 124' ' ' ILE . . . . . . . . . . . . . 72.4 mt -89.49 133.59 34.28 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.294 -172.626 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 125' ' ' PRO . . . . . . . . . . . . . 75.1 Cg_exo -50.49 147.0 17.99 Favored 'Trans proline' 0 N--CA 1.458 -0.615 0 C-N-CA 121.661 1.574 . . . . 0.0 111.182 173.37 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . -61.99 -14.89 39.68 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.178 -177.104 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 127' ' ' ASP . . . . . . . . . . . . . 78.8 m-20 -99.68 -17.31 17.83 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.194 -175.421 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 128' ' ' VAL . . . . . . . . . . . . . 83.3 t -94.98 140.13 17.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.155 -178.826 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 85.6 m-20 -109.82 154.49 42.52 Favored Pre-proline 0 C--N 1.328 -0.327 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.204 179.084 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 130' ' ' PRO . . . . . . . . . . . . . 82.1 Cg_exo -53.19 -31.92 57.6 Favored 'Trans proline' 0 N--CA 1.458 -0.575 0 C-N-CA 121.739 1.626 . . . . 0.0 111.235 -179.882 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 131' ' ' LEU . . . . . . . . . . . . . 95.8 mt -81.76 -31.79 31.78 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.166 -174.777 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 132' ' ' THR . . . . . . . . . . . . . 82.2 p -72.47 -23.46 61.05 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.202 178.832 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 133' ' ' ILE . . . . . . . . . . . . . 93.6 mt -73.81 127.68 35.81 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.383 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.292 177.008 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 134' ' ' THR . . . . . . . . . . . . . 98.2 m -112.18 132.68 54.75 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.177 -178.804 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 135' ' ' SER . . . . . . . . . . . . . 30.2 t -111.72 130.41 55.79 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.219 -179.976 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 136' ' ' SER . . . . . . . . . . . . . 42.6 t -141.75 127.05 18.66 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.243 -177.764 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 137' ' ' LEU . . . . . . . . . . . . . 63.6 tp -98.99 128.68 45.18 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.287 -0.415 . . . . 0.0 111.167 -175.93 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 138' ' ' SER . . . . . . . . . . . . . 59.7 p -86.57 166.07 15.71 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.173 177.405 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 139' ' ' SER . . . . . . . . . . . . . 88.7 p -76.8 -11.22 59.8 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.23 178.74 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 140' ' ' ASP . . . . . . . . . . . . . 89.2 m-20 -90.04 -1.86 58.03 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.067 -0.515 . . . . 0.0 111.125 178.995 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 141' ' ' GLY . . . . . . . . . . . . . . . 83.78 35.8 15.26 Favored Glycine 0 CA--C 1.524 0.624 0 N-CA-C 111.275 -0.73 . . . . 0.0 111.275 179.507 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 142' ' ' VAL . . . . . . . . . . . . . 62.0 t -115.53 108.15 24.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-O 120.851 0.358 . . . . 0.0 111.129 174.252 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 143' ' ' LEU . . . . . . . . . . . . . 62.1 tp -91.48 110.15 21.46 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.204 -177.74 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 144' ' ' THR . . . . . . . . . . . . . 97.1 m -96.54 115.41 27.38 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.229 -174.579 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 145' ' ' VAL . . . . . . . . . . . . . 60.3 t -120.26 113.38 40.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.153 -179.319 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 146' ' ' ASP . . . . . 0.708 ' OD1' ' O ' ' A' ' 146' ' ' ASP . 32.4 p30 -141.43 130.12 22.83 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.166 -159.045 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 147' ' ' GLY . . . . . . . . . . . . . . . -114.06 158.05 14.56 Favored Glycine 0 CA--C 1.522 0.518 0 N-CA-C 111.189 -0.764 . . . . 0.0 111.189 174.437 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 148' ' ' PRO . . . . . . . . . . . . . 56.8 Cg_endo -85.21 -45.61 0.05 OUTLIER 'Trans proline' 0 N--CA 1.458 -0.605 0 C-N-CA 121.748 1.632 . . . . 0.0 111.279 -162.948 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 149' ' ' ARG . . . . . . . . . . . . . 84.3 mtp180 -92.07 67.37 5.08 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.229 -163.622 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 150' ' ' LYS . . . . . . . . . . . . . 60.7 tptt -89.54 -54.74 3.94 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.214 176.489 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 151' ' ' GLN . . . . . . . . . . . . . 99.4 mm-40 -97.91 -24.19 15.5 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.237 176.669 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 152' ' ' VAL . . . . . . . . . . . . . 71.1 t . . . . . 0 C--O 1.219 -0.521 0 CA-C-O 117.597 -1.192 . . . . 0.0 111.096 174.979 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' B' B ' 64' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.523 0.567 0 N-CA-C 111.221 -0.752 . . . . 0.0 111.221 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' B' B ' 65' ' ' LEU . . . . . . . . . . . . . 92.2 mt -90.21 151.48 21.53 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.735 0.302 . . . . 0.0 111.19 -179.439 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 66' ' ' SER . . . . . . . . . . . . . 90.0 p -82.49 -11.53 58.42 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.218 176.942 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 67' ' ' GLU . . . . . . . . . . . . . 88.4 tt0 -60.42 129.67 42.79 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.164 179.434 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 68' ' ' MET . . . . . . . . . . . . . 1.9 pmm? -82.61 157.87 23.26 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.305 175.943 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 69' ' ' ARG . . . . . . . . . . . . . 60.0 ttp180 -127.74 139.81 52.45 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.096 -178.162 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 70' ' ' LEU . . . . . . . . . . . . . 55.5 mt -99.95 100.64 11.56 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.14 169.664 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 71' ' ' GLU . . . . . 0.56 ' O ' ' C ' ' B' ' 72' ' ' LYS . 95.7 mt-10 -68.11 -176.25 0.69 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.202 174.28 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 72' ' ' LYS . . . . . 0.56 ' C ' ' O ' ' B' ' 71' ' ' GLU . 88.0 tttt -27.29 -60.24 0.1 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.067 -168.446 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 73' ' ' ASP . . . . . . . . . . . . . 58.8 p30 -142.34 26.74 1.78 Allowed 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.173 -172.626 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 74' ' ' ARG . . . . . . . . . . . . . 15.6 ptm180 -146.3 171.29 15.21 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.234 -171.909 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 75' ' ' PHE . . . . . . . . . . . . . 10.6 p90 -120.07 146.92 45.46 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.214 -178.935 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 76' ' ' SER . . . . . . . . . . . . . 36.0 t -139.34 121.45 15.75 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.16 179.685 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 77' ' ' VAL . . . . . . . . . . . . . 94.4 t -99.59 110.72 27.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.156 -174.394 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 78' ' ' ASN . . . . . . . . . . . . . 77.1 m-20 -92.64 104.86 17.11 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.089 -0.505 . . . . 0.0 111.277 -179.771 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 79' ' ' LEU . . . . . . . . . . . . . 85.7 mt -96.91 133.65 41.27 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.224 -173.568 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 80' ' ' ASP . . . . . . . . . . . . . 67.4 t0 -83.65 104.65 13.94 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.185 174.558 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 81' ' ' VAL . . . . . . . . . . . . . 34.6 m -131.84 3.83 1.78 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.399 0 CA-C-N 116.307 -0.406 . . . . 0.0 111.235 -171.765 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 82' ' ' LYS . . . . . . . . . . . . . 88.3 tttt -47.37 -48.87 25.6 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.203 177.389 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 83' ' ' HIS . . . . . . . . . . . . . 20.8 p-80 -77.23 -20.54 55.11 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.2 -174.618 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 84' ' ' PHE . . . . . . . . . . . . . 20.3 m-30 -72.25 145.33 48.0 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.17 178.539 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 85' ' ' SER . . . . . 0.444 ' O ' ' N ' ' B' ' 89' ' ' LEU . 72.2 m -100.32 148.92 35.57 Favored Pre-proline 0 C--N 1.328 -0.342 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.207 175.422 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 86' ' ' PRO . . . . . 0.421 ' HD3' ' HA ' ' B' ' 85' ' ' SER . 71.9 Cg_exo -54.16 -33.3 73.91 Favored 'Trans proline' 0 N--CA 1.458 -0.587 0 C-N-CA 121.715 1.61 . . . . 0.0 111.215 177.415 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 87' ' ' GLU . . . . . . . . . . . . . 99.2 mt-10 -80.28 -18.09 50.3 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.249 -179.854 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 88' ' ' GLU . . . . . . . . . . . . . 60.3 mt-10 -104.92 -13.55 15.76 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.236 178.936 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 89' ' ' LEU . . . . . 0.444 ' N ' ' O ' ' B' ' 85' ' ' SER . 58.7 tp -102.82 112.79 25.75 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.258 -169.227 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 90' ' ' LYS . . . . . . . . . . . . . 98.4 mttt -119.67 81.42 1.72 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.139 178.724 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 91' ' ' VAL . . . . . . . . . . . . . 86.9 t -90.58 127.46 43.05 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.385 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.201 177.314 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 92' ' ' LYS . . . . . 0.401 ' O ' ' N ' ' B' ' 99' ' ' GLU . 87.8 tttt -149.67 128.65 12.64 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.214 -171.78 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 93' ' ' VAL . . . . . . . . . . . . . 73.2 t -72.53 97.49 0.75 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.258 171.862 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 94' ' ' LEU . . . . . 0.469 ' HB3' HG23 ' B' ' 97' ' ' VAL . 60.0 tp -97.44 78.42 2.68 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.202 -161.911 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 95' ' ' GLY . . . . . . . . . . . . . . . 70.22 -106.65 1.9 Allowed Glycine 0 CA--C 1.523 0.533 0 N-CA-C 111.294 -0.722 . . . . 0.0 111.294 175.575 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 96' ' ' ASP . . . . . . . . . . . . . 49.8 p-10 -95.81 2.39 53.76 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-O 120.789 0.328 . . . . 0.0 111.206 -177.765 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 97' ' ' VAL . . . . . 0.52 ' HA ' ' HA ' ' B' ' 123' ' ' ARG . 32.9 m -128.7 175.2 10.71 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.27 172.395 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 98' ' ' ILE . . . . . 0.41 ' HB ' ' HB3' ' B' ' 122' ' ' TYR . 72.0 mt -117.03 92.11 2.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.19 174.591 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 99' ' ' GLU . . . . . 0.401 ' N ' ' O ' ' B' ' 92' ' ' LYS . 82.5 tt0 -62.42 130.67 46.28 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.197 -176.73 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 100' ' ' VAL . . . . . 0.515 ' HB ' ' HB2' ' B' ' 120' ' ' ARG . 30.5 t -119.48 91.81 1.95 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.179 166.608 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 101' ' ' HIS . . . . . . . . . . . . . 57.8 t-80 -102.98 64.72 0.86 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.246 -171.933 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 102' ' ' GLY . . . . . . . . . . . . . . . -95.1 176.43 34.41 Favored Glycine 0 CA--C 1.522 0.529 0 N-CA-C 111.215 -0.754 . . . . 0.0 111.215 -175.433 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 103' ' ' LYS . . . . . 0.448 ' HB3' ' HA ' ' B' ' 117' ' ' GLU . 64.8 pttt -174.76 154.94 2.04 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.769 0.319 . . . . 0.0 111.263 169.278 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 104' ' ' HIS . . . . . 0.475 ' ND1' ' C ' ' B' ' 104' ' ' HIS . 0.3 OUTLIER -134.3 102.62 5.42 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.162 168.139 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' B' B ' 105' ' ' GLU . . . . . 0.408 ' HG2' ' HG3' ' B' ' 106' ' ' GLU . 88.6 tt0 -81.4 144.47 31.4 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.195 179.5 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 106' ' ' GLU . . . . . 0.428 ' HA ' ' CD2' ' B' ' 113' ' ' PHE . 94.3 mt-10 63.05 53.18 2.38 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.217 -173.494 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 107' ' ' ARG . . . . . 0.445 ' HB3' HG13 ' B' ' 114' ' ' ILE . 60.3 ttt-85 -108.72 92.15 3.94 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.194 -174.176 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 108' ' ' GLN . . . . . . . . . . . . . 66.4 tt0 -58.51 120.33 8.63 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.136 177.762 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 109' ' ' ASP . . . . . . . . . . . . . 53.1 p30 -160.32 -149.7 0.2 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.221 -173.05 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 110' ' ' GLU . . . . . . . . . . . . . 88.5 tt0 -45.54 -67.43 0.28 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.137 -176.068 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 111' ' ' HIS . . . . . . . . . . . . . 97.9 m-70 -96.83 78.04 2.85 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.215 -174.884 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 112' ' ' GLY . . . . . 0.408 ' HA3' ' HA ' ' A' ' 122' ' ' TYR . . . 69.73 -111.8 4.07 Favored Glycine 0 CA--C 1.522 0.525 0 N-CA-C 111.14 -0.784 . . . . 0.0 111.14 -179.615 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 113' ' ' PHE . . . . . 0.428 ' CD2' ' HA ' ' B' ' 106' ' ' GLU . 46.5 p90 -138.16 153.89 49.18 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 120.798 0.332 . . . . 0.0 111.202 162.058 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 114' ' ' ILE . . . . . 0.645 HD12 ' C ' ' B' ' 114' ' ' ILE . 2.3 pp -120.8 164.87 16.87 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.203 -167.762 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 115' ' ' SER . . . . . . . . . . . . . 46.9 t -138.66 99.25 3.76 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.182 162.013 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 116' ' ' ARG . . . . . . . . . . . . . 89.1 mtm180 -112.96 111.51 22.31 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.16 -167.636 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 117' ' ' GLU . . . . . 0.454 ' HB3' ' HB3' ' A' ' 117' ' ' GLU . 86.3 tt0 -85.66 104.65 15.59 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.078 176.727 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 118' ' ' PHE . . . . . . . . . . . . . 74.6 m-85 -84.12 163.19 19.96 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.178 -173.814 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 119' ' ' HIS . . . . . . . . . . . . . 9.4 t-160 -163.64 62.34 0.17 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.169 178.741 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 120' ' ' ARG . . . . . 0.515 ' HB2' ' HB ' ' B' ' 100' ' ' VAL . 79.7 mtt-85 -84.29 103.13 13.22 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.22 -172.591 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 121' ' ' LYS . . . . . . . . . . . . . 97.3 mttt -85.61 85.48 7.41 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.238 175.39 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 122' ' ' TYR . . . . . 0.444 ' CD1' ' C ' ' B' ' 122' ' ' TYR . 4.7 t80 -81.19 109.96 16.23 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.156 179.356 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 123' ' ' ARG . . . . . 0.52 ' HA ' ' HA ' ' B' ' 97' ' ' VAL . 7.3 ttp180 -77.66 139.87 39.51 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.197 -159.982 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 124' ' ' ILE . . . . . . . . . . . . . 72.4 mt -89.56 133.55 34.26 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.219 -172.599 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 125' ' ' PRO . . . . . . . . . . . . . 77.5 Cg_exo -50.41 146.88 17.89 Favored 'Trans proline' 0 N--CA 1.459 -0.516 0 C-N-CA 121.615 1.543 . . . . 0.0 111.252 173.305 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 126' ' ' ALA . . . . . . . . . . . . . . . -61.94 -14.8 38.18 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.226 -177.154 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 127' ' ' ASP . . . . . . . . . . . . . 78.7 m-20 -99.65 -17.41 17.8 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.167 -175.446 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 128' ' ' VAL . . . . . . . . . . . . . 83.8 t -94.83 139.99 17.6 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.208 -178.768 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 129' ' ' ASP . . . . . . . . . . . . . 85.9 m-20 -109.86 154.56 42.52 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.169 179.063 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 130' ' ' PRO . . . . . . . . . . . . . 82.9 Cg_exo -53.19 -31.95 57.79 Favored 'Trans proline' 0 N--CA 1.458 -0.566 0 C-N-CA 121.699 1.599 . . . . 0.0 111.244 -179.89 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 131' ' ' LEU . . . . . . . . . . . . . 95.8 mt -81.84 -31.64 31.56 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.153 -174.712 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 132' ' ' THR . . . . . . . . . . . . . 82.0 p -72.45 -23.55 61.07 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.219 178.735 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 133' ' ' ILE . . . . . . . . . . . . . 93.9 mt -73.81 127.75 35.85 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.383 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.107 177.161 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 134' ' ' THR . . . . . . . . . . . . . 97.9 m -112.22 132.58 54.84 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.16 -178.78 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 135' ' ' SER . . . . . . . . . . . . . 30.1 t -111.63 130.52 55.73 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.317 -0.401 . . . . 0.0 111.25 179.947 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 136' ' ' SER . . . . . . . . . . . . . 42.6 t -141.84 127.0 18.5 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.188 -177.765 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 137' ' ' LEU . . . . . . . . . . . . . 63.3 tp -98.9 128.69 45.15 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.211 -176.026 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 138' ' ' SER . . . . . . . . . . . . . 59.6 p -86.65 166.11 15.61 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.214 177.405 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 139' ' ' SER . . . . . . . . . . . . . 87.8 p -76.77 -11.26 59.81 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.252 178.757 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 140' ' ' ASP . . . . . . . . . . . . . 89.3 m-20 -89.89 -1.84 58.06 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.05 -0.523 . . . . 0.0 111.222 178.905 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 141' ' ' GLY . . . . . . . . . . . . . . . 83.69 35.87 15.33 Favored Glycine 0 CA--C 1.523 0.534 0 N-CA-C 111.243 -0.743 . . . . 0.0 111.243 179.498 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 142' ' ' VAL . . . . . . . . . . . . . 60.5 t -115.6 108.15 24.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-O 120.867 0.365 . . . . 0.0 111.24 174.173 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 143' ' ' LEU . . . . . . . . . . . . . 62.3 tp -91.51 110.25 21.56 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.167 -177.661 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 144' ' ' THR . . . . . . . . . . . . . 97.6 m -96.48 115.43 27.41 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.162 -174.606 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 145' ' ' VAL . . . . . . . . . . . . . 60.3 t -120.28 113.32 39.98 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.121 -0.491 . . . . 0.0 111.255 -179.456 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 146' ' ' ASP . . . . . 0.716 ' OD1' ' O ' ' B' ' 146' ' ' ASP . 32.5 p30 -141.39 130.12 22.88 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.195 -159.008 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 147' ' ' GLY . . . . . . . . . . . . . . . -114.05 158.21 14.46 Favored Glycine 0 CA--C 1.522 0.526 0 N-CA-C 111.2 -0.76 . . . . 0.0 111.2 174.457 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 148' ' ' PRO . . . . . . . . . . . . . 56.4 Cg_endo -85.41 -45.62 0.05 OUTLIER 'Trans proline' 0 N--CA 1.457 -0.633 0 C-N-CA 121.8 1.667 . . . . 0.0 111.165 -162.79 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 149' ' ' ARG . . . . . . . . . . . . . 84.4 mtp180 -92.05 67.3 5.09 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.275 -0.421 . . . . 0.0 111.177 -163.527 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 150' ' ' LYS . . . . . . . . . . . . . 60.7 tptt -89.69 -54.7 3.95 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.295 -0.411 . . . . 0.0 111.109 176.613 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 151' ' ' GLN . . . . . . . . . . . . . 99.4 mm-40 -97.87 -24.25 15.5 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.219 176.706 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 152' ' ' VAL . . . . . . . . . . . . . 73.2 t . . . . . 0 C--O 1.219 -0.528 0 CA-C-O 118.327 -0.844 . . . . 0.0 111.254 174.873 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.523 0.58 0 N-CA-C 111.212 -0.755 . . . . 0.0 111.212 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 65' ' ' LEU . . . . . 0.462 ' HA ' ' HA ' ' A' ' 79' ' ' LEU . 7.1 mp -102.27 98.14 8.32 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.788 0.328 . . . . 0.0 111.221 -179.764 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 85.4 p -94.7 164.7 12.84 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.208 -175.543 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 24.4 pm0 -84.59 173.74 10.55 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.179 178.184 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 68' ' ' MET . . . . . . . . . . . . . 63.6 mtm -70.36 149.57 47.2 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.169 -0.468 . . . . 0.0 111.119 -178.164 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 79.7 ttt180 -125.01 97.18 5.15 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.186 -177.942 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 70' ' ' LEU . . . . . 0.502 HD23 ' C ' ' A' ' 70' ' ' LEU . 8.6 tt -96.77 106.07 18.31 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.194 175.938 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 71' ' ' GLU . . . . . 0.498 ' O ' ' C ' ' A' ' 72' ' ' LYS . 78.2 mm-40 -97.34 -177.25 3.77 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.245 176.769 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 72' ' ' LYS . . . . . 0.498 ' C ' ' O ' ' A' ' 71' ' ' GLU . 88.0 tttt -29.11 -57.35 0.14 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.21 -179.161 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 52.6 p-10 -137.92 42.2 2.28 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.168 -177.662 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 90.7 mmt-85 -137.21 171.19 14.87 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.305 -178.165 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 75' ' ' PHE . . . . . 0.538 ' O ' ' CD2' ' A' ' 75' ' ' PHE . 47.7 t80 -172.5 84.58 0.06 Allowed 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.189 174.886 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 82.5 p -112.53 172.88 6.65 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.198 -175.986 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 5.3 p -151.99 148.39 14.51 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.261 168.802 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 57.6 t-20 -137.32 107.96 6.58 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.284 -0.416 . . . . 0.0 111.182 -178.249 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 79' ' ' LEU . . . . . 0.462 ' HA ' ' HA ' ' A' ' 65' ' ' LEU . 1.1 pt? -131.44 152.93 50.25 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.101 -178.801 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 65.5 t0 -99.54 119.37 37.93 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.195 -170.028 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 17.6 m -131.63 43.77 0.6 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.127 174.336 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 64.1 pttt -70.11 -18.88 63.26 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.134 -178.023 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 96.4 m-70 -83.82 -7.23 59.5 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.283 178.111 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 84' ' ' PHE . . . . . . . . . . . . . 36.2 m-85 -106.24 170.8 7.71 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.22 -176.145 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 75.6 m -124.66 153.0 69.98 Favored Pre-proline 0 C--N 1.328 -0.327 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.126 -178.05 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 74.3 Cg_exo -54.86 -26.76 49.9 Favored 'Trans proline' 0 N--CA 1.459 -0.541 0 C-N-CA 121.637 1.558 . . . . 0.0 111.209 177.365 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 99.0 mt-10 -87.24 -25.15 24.13 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.141 -0.482 . . . . 0.0 111.261 176.961 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 98.5 mt-10 -95.69 -7.43 37.43 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.24 -178.023 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 2.0 pp -136.33 147.68 47.53 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.202 177.918 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 83.7 tttt -152.98 119.22 5.51 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.239 176.439 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 97.5 t -73.04 117.39 16.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.239 175.682 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 92' ' ' LYS . . . . . 0.406 ' HB2' ' HG3' ' A' ' 99' ' ' GLU . 99.1 mttt -123.69 174.69 7.31 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.339 -0.392 . . . . 0.0 111.207 179.381 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 33.7 m -129.19 161.21 39.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.069 172.898 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 22.1 tp -147.48 69.24 1.14 Allowed 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.182 173.989 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 82.55 -104.29 2.5 Favored Glycine 0 CA--C 1.523 0.578 0 N-CA-C 111.184 -0.766 . . . . 0.0 111.184 -177.669 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 85.1 m-20 -96.56 11.71 34.22 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.842 0.353 . . . . 0.0 111.13 -174.007 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 97' ' ' VAL . . . . . 0.4 ' HB ' ' HB3' ' A' ' 121' ' ' LYS . 28.0 m -126.83 161.27 33.86 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.233 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.173 178.683 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 98' ' ' ILE . . . . . 0.479 ' HB ' ' HB2' ' A' ' 122' ' ' TYR . 59.1 mt -119.02 68.51 0.29 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.234 173.78 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 99' ' ' GLU . . . . . 0.669 ' O ' ' HG3' ' A' ' 99' ' ' GLU . 21.7 pt-20 -54.95 100.95 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.11 -174.437 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 100' ' ' VAL . . . . . . . . . . . . . 73.9 t -78.23 94.72 1.59 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.067 174.519 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 101' ' ' HIS . . . . . 0.461 ' HA ' ' HA ' ' A' ' 119' ' ' HIS . 9.3 t-160 -78.46 84.65 4.59 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.163 -0.472 . . . . 0.0 111.198 -173.485 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . -105.05 155.26 17.14 Favored Glycine 0 CA--C 1.523 0.57 0 N-CA-C 111.152 -0.779 . . . . 0.0 111.152 -179.114 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 103' ' ' LYS . . . . . 0.405 ' HA ' ' O ' ' A' ' 116' ' ' ARG . 64.6 pttt -166.99 127.65 1.56 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.908 0.385 . . . . 0.0 111.138 173.312 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 104' ' ' HIS . . . . . . . . . . . . . 23.0 t-160 -113.13 103.41 11.33 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.17 174.386 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 90.9 mt-10 -91.59 154.99 18.68 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.141 -0.482 . . . . 0.0 111.165 -176.637 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 94.7 mt-10 60.34 53.84 4.16 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.195 177.706 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 107' ' ' ARG . . . . . 0.454 ' HB3' HG13 ' A' ' 114' ' ' ILE . 49.5 ttt85 -106.65 108.49 20.03 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.194 -169.886 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 108' ' ' GLN . . . . . . . . . . . . . 69.5 tp60 -69.76 124.98 25.37 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.17 176.269 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 58.0 p-10 -146.31 -167.55 2.77 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.086 -0.506 . . . . 0.0 111.126 177.486 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 24.9 pm0 -66.3 -20.15 66.02 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.289 -0.414 . . . . 0.0 111.129 -177.008 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 111' ' ' HIS . . . . . 0.432 ' O ' ' HA ' ' B' ' 122' ' ' TYR . 56.4 m-70 -83.62 -42.52 16.62 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.334 -0.394 . . . . 0.0 111.273 178.739 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 112' ' ' GLY . . . . . 0.408 ' HA3' ' O ' ' B' ' 121' ' ' LYS . . . 156.25 -119.64 0.93 Allowed Glycine 0 CA--C 1.524 0.608 0 N-CA-C 111.266 -0.734 . . . . 0.0 111.266 -170.611 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 113' ' ' PHE . . . . . . . . . . . . . 55.7 m-85 -114.39 117.59 31.47 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.746 0.308 . . . . 0.0 111.241 162.976 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 114' ' ' ILE . . . . . 0.454 HG13 ' HB3' ' A' ' 107' ' ' ARG . 46.3 pt -104.92 170.24 2.06 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.374 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.256 172.481 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 115' ' ' SER . . . . . 0.407 ' O ' ' HA ' ' B' ' 118' ' ' PHE . 34.8 t -144.23 83.34 1.73 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.141 -0.482 . . . . 0.0 111.22 -176.955 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 116' ' ' ARG . . . . . 0.405 ' O ' ' HA ' ' A' ' 103' ' ' LYS . 90.5 mtm180 -72.14 135.05 46.07 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.321 -0.4 . . . . 0.0 111.306 -172.555 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 87.5 tt0 -144.23 135.49 25.52 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.209 171.357 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 118' ' ' PHE . . . . . 0.406 ' HA ' ' O ' ' B' ' 115' ' ' SER . 23.3 p90 -161.24 168.43 24.12 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.215 -174.99 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 119' ' ' HIS . . . . . 0.83 ' O ' ' ND1' ' A' ' 119' ' ' HIS . 18.0 p80 -143.26 81.51 1.71 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.248 174.953 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 120' ' ' ARG . . . . . 0.439 ' HA ' HG22 ' B' ' 114' ' ' ILE . 87.0 mtt-85 -68.15 93.81 0.47 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.227 -163.639 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 121' ' ' LYS . . . . . 0.409 ' O ' ' HA3' ' B' ' 112' ' ' GLY . 97.3 mttt -68.09 76.6 0.23 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.151 -179.532 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 122' ' ' TYR . . . . . 0.479 ' HB2' ' HB ' ' A' ' 98' ' ' ILE . 40.4 m-85 -59.49 106.86 0.5 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.16 174.461 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 123' ' ' ARG . . . . . . . . . . . . . 14.8 tpt180 -78.78 113.58 16.98 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.197 -167.974 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 124' ' ' ILE . . . . . . . . . . . . . 85.2 mt -71.15 121.16 83.4 Favored Pre-proline 0 C--N 1.33 -0.247 0 CA-C-N 116.11 -0.495 . . . . 0.0 111.168 -175.152 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 125' ' ' PRO . . . . . . . . . . . . . 78.6 Cg_exo -51.09 143.55 31.61 Favored 'Trans proline' 0 N--CA 1.458 -0.617 0 C-N-CA 121.646 1.564 . . . . 0.0 111.243 174.196 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . -62.49 -13.82 34.69 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.205 -176.047 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 127' ' ' ASP . . . . . . . . . . . . . 83.0 m-20 -99.25 13.93 31.34 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.257 -177.347 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 128' ' ' VAL . . . . . . . . . . . . . 82.4 t -121.63 133.86 66.76 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.241 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.226 -179.397 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 129' ' ' ASP . . . . . 0.417 ' HA ' ' HD2' ' A' ' 130' ' ' PRO . 64.0 t0 -84.02 119.37 73.3 Favored Pre-proline 0 C--N 1.33 -0.269 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.166 178.594 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 130' ' ' PRO . . . . . 0.417 ' HD2' ' HA ' ' A' ' 129' ' ' ASP . 46.8 Cg_endo -70.56 -14.23 33.38 Favored 'Trans proline' 0 N--CA 1.459 -0.545 0 C-N-CA 121.696 1.598 . . . . 0.0 111.208 -174.665 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 131' ' ' LEU . . . . . . . . . . . . . 95.9 mt -88.53 -1.48 58.08 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.223 -178.792 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 132' ' ' THR . . . . . . . . . . . . . 76.6 p -110.39 4.06 20.3 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.219 -178.73 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 133' ' ' ILE . . . . . 0.481 ' HA ' ' HA3' ' A' ' 147' ' ' GLY . 88.0 mt -95.09 121.84 46.02 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.276 -173.656 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 134' ' ' THR . . . . . . . . . . . . . 54.9 p -107.71 172.8 6.62 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.179 176.846 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 135' ' ' SER . . . . . . . . . . . . . 34.3 t -150.09 140.28 22.16 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.161 -177.816 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 136' ' ' SER . . . . . . . . . . . . . 89.9 p -148.61 156.36 42.31 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.331 -0.395 . . . . 0.0 111.186 179.106 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 137' ' ' LEU . . . . . . . . . . . . . 66.0 tp -134.27 119.35 18.62 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.237 -177.261 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 138' ' ' SER . . . . . . . . . . . . . 60.2 p -78.72 167.25 21.48 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 116.314 -0.403 . . . . 0.0 111.23 -178.99 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 139' ' ' SER . . . . . . . . . . . . . 86.2 p -70.11 -17.77 63.22 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.157 176.534 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 140' ' ' ASP . . . . . . . . . . . . . 93.4 m-20 -82.67 -10.3 58.99 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.201 176.988 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 141' ' ' GLY . . . . . . . . . . . . . . . 94.64 19.02 33.24 Favored Glycine 0 CA--C 1.524 0.615 0 N-CA-C 111.217 -0.753 . . . . 0.0 111.217 177.303 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 142' ' ' VAL . . . . . . . . . . . . . 68.2 t -84.44 101.77 9.45 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-O 120.7 0.286 . . . . 0.0 111.184 178.318 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 143' ' ' LEU . . . . . . . . . . . . . 60.1 tp -92.33 117.79 30.26 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.289 -0.414 . . . . 0.0 111.21 -179.363 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 144' ' ' THR . . . . . . . . . . . . . 98.8 m -121.84 126.9 49.83 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.13 -175.051 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 145' ' ' VAL . . . . . . . . . . . . . 48.4 t -128.15 121.62 56.28 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.211 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.186 177.301 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 146' ' ' ASP . . . . . . . . . . . . . 61.8 t0 -152.93 123.39 7.2 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.264 -162.808 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 147' ' ' GLY . . . . . 0.481 ' HA3' ' HA ' ' A' ' 133' ' ' ILE . . . -139.83 131.16 5.01 Favored Glycine 0 CA--C 1.524 0.606 0 N-CA-C 111.245 -0.742 . . . . 0.0 111.245 174.888 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 148' ' ' PRO . . . . . . . . . . . . . 73.9 Cg_exo -54.04 146.38 48.24 Favored 'Trans proline' 0 N--CA 1.458 -0.605 0 C-N-CA 121.687 1.591 . . . . 0.0 111.219 177.526 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 149' ' ' ARG . . . . . . . . . . . . . 82.0 mtp180 -57.65 165.17 1.73 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.156 -179.471 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 150' ' ' LYS . . . . . . . . . . . . . 57.5 pttt -69.88 -16.1 63.19 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.246 -178.116 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 151' ' ' GLN . . . . . . . . . . . . . 99.4 mm-40 -88.14 -4.88 58.69 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.167 179.963 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 152' ' ' VAL . . . . . . . . . . . . . 94.3 t . . . . . 0 C--O 1.221 -0.441 0 CA-C-O 117.93 -1.033 . . . . 0.0 111.33 179.78 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' B' B ' 64' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.524 0.616 0 N-CA-C 111.138 -0.785 . . . . 0.0 111.138 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' B' B ' 65' ' ' LEU . . . . . 0.451 ' HA ' ' HA ' ' B' ' 79' ' ' LEU . 7.1 mp -102.19 98.2 8.39 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-O 120.761 0.315 . . . . 0.0 111.196 -179.744 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 66' ' ' SER . . . . . . . . . . . . . 85.4 p -94.73 164.74 12.82 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.128 -175.486 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 67' ' ' GLU . . . . . . . . . . . . . 24.4 pm0 -84.75 173.8 10.4 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.236 178.166 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 68' ' ' MET . . . . . . . . . . . . . 63.0 mtm -70.21 149.52 47.4 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.242 -178.195 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 69' ' ' ARG . . . . . . . . . . . . . 79.7 ttt180 -125.04 97.08 5.1 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.271 -177.974 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 70' ' ' LEU . . . . . 0.494 ' C ' HD23 ' B' ' 70' ' ' LEU . 8.6 tt -96.68 106.14 18.36 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.06 176.102 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 71' ' ' GLU . . . . . 0.492 ' O ' ' C ' ' B' ' 72' ' ' LYS . 78.1 mm-40 -97.34 -177.22 3.75 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.257 -0.428 . . . . 0.0 111.176 176.707 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 72' ' ' LYS . . . . . 0.492 ' C ' ' O ' ' B' ' 71' ' ' GLU . 88.0 tttt -29.11 -57.36 0.14 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.147 -179.218 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 73' ' ' ASP . . . . . . . . . . . . . 52.6 p-10 -137.93 42.15 2.28 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.201 -177.581 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 74' ' ' ARG . . . . . . . . . . . . . 90.6 mmt-85 -137.24 171.15 14.91 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.089 -178.003 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 75' ' ' PHE . . . . . 0.531 ' O ' ' CD2' ' B' ' 75' ' ' PHE . 47.4 t80 -172.51 84.58 0.06 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.072 -0.513 . . . . 0.0 111.228 174.729 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 76' ' ' SER . . . . . . . . . . . . . 82.4 p -112.44 172.91 6.63 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.155 -175.976 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 77' ' ' VAL . . . . . . . . . . . . . 5.1 p -151.96 148.39 14.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.273 168.775 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 78' ' ' ASN . . . . . . . . . . . . . 57.6 t-20 -137.36 108.01 6.59 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.157 -178.315 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 79' ' ' LEU . . . . . 0.451 ' HA ' ' HA ' ' B' ' 65' ' ' LEU . 1.0 OUTLIER -131.47 152.94 50.27 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.145 -178.821 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' B' B ' 80' ' ' ASP . . . . . . . . . . . . . 65.4 t0 -99.51 119.34 37.87 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.196 -169.985 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 81' ' ' VAL . . . . . . . . . . . . . 17.8 m -131.63 43.79 0.59 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.39 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.176 174.256 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 82' ' ' LYS . . . . . . . . . . . . . 64.0 pttt -69.98 -18.91 63.36 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.197 -178.137 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 83' ' ' HIS . . . . . . . . . . . . . 96.4 m-70 -83.76 -7.47 59.46 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.173 178.219 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 84' ' ' PHE . . . . . . . . . . . . . 37.1 m-85 -106.14 170.92 7.63 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.145 -176.1 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 85' ' ' SER . . . . . . . . . . . . . 75.7 m -124.73 152.99 70.22 Favored Pre-proline 0 C--N 1.328 -0.333 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.218 -178.155 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 86' ' ' PRO . . . . . . . . . . . . . 75.1 Cg_exo -54.84 -26.83 50.0 Favored 'Trans proline' 0 N--CA 1.459 -0.528 0 C-N-CA 121.602 1.534 . . . . 0.0 111.178 177.408 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 87' ' ' GLU . . . . . . . . . . . . . 99.1 mt-10 -87.23 -25.11 24.15 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.259 176.992 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 88' ' ' GLU . . . . . . . . . . . . . 98.5 mt-10 -95.64 -7.38 37.75 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.234 -178.083 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 89' ' ' LEU . . . . . . . . . . . . . 2.0 pp -136.38 147.62 47.42 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.164 178.03 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 90' ' ' LYS . . . . . . . . . . . . . 83.8 tttt -152.97 119.17 5.5 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.142 176.494 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 91' ' ' VAL . . . . . . . . . . . . . 97.0 t -73.07 117.45 16.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.187 175.658 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 92' ' ' LYS . . . . . 0.415 ' HB2' ' HG3' ' B' ' 99' ' ' GLU . 99.2 mttt -123.71 174.68 7.32 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.24 -0.437 . . . . 0.0 111.296 179.325 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 93' ' ' VAL . . . . . . . . . . . . . 33.7 m -129.22 161.32 38.87 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.275 -0.42 . . . . 0.0 111.15 172.829 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 94' ' ' LEU . . . . . . . . . . . . . 22.0 tp -147.56 69.18 1.14 Allowed 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.142 174.118 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 95' ' ' GLY . . . . . . . . . . . . . . . 82.64 -104.29 2.51 Favored Glycine 0 CA--C 1.523 0.553 0 N-CA-C 111.196 -0.762 . . . . 0.0 111.196 -177.64 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 96' ' ' ASP . . . . . . . . . . . . . 84.9 m-20 -96.59 11.62 34.58 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-O 120.941 0.4 . . . . 0.0 111.206 -174.023 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 97' ' ' VAL . . . . . . . . . . . . . 28.8 m -126.8 161.33 33.66 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.222 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.222 178.592 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 98' ' ' ILE . . . . . 0.483 ' HB ' ' HB2' ' B' ' 122' ' ' TYR . 58.8 mt -119.03 68.47 0.29 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.193 173.82 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 99' ' ' GLU . . . . . 0.667 ' HG3' ' O ' ' B' ' 99' ' ' GLU . 21.8 pt-20 -54.92 100.88 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.246 -174.541 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 100' ' ' VAL . . . . . . . . . . . . . 72.4 t -78.05 94.44 1.51 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.369 0 CA-C-N 116.268 -0.423 . . . . 0.0 111.2 174.556 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 101' ' ' HIS . . . . . 0.458 ' HA ' ' HA ' ' B' ' 119' ' ' HIS . 9.2 t-160 -78.23 84.6 4.43 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.145 -173.406 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 102' ' ' GLY . . . . . . . . . . . . . . . -105.03 155.29 17.14 Favored Glycine 0 CA--C 1.523 0.536 0 N-CA-C 111.243 -0.743 . . . . 0.0 111.243 -179.297 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 103' ' ' LYS . . . . . 0.408 ' HA ' ' O ' ' B' ' 116' ' ' ARG . 64.6 pttt -166.88 127.64 1.59 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.812 0.339 . . . . 0.0 111.179 173.303 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 104' ' ' HIS . . . . . . . . . . . . . 23.0 t-160 -113.04 103.28 11.22 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.157 174.417 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 105' ' ' GLU . . . . . . . . . . . . . 90.9 mt-10 -91.53 154.94 18.75 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.303 -0.408 . . . . 0.0 111.237 -176.658 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 106' ' ' GLU . . . . . . . . . . . . . 94.8 mt-10 60.43 53.68 4.15 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.296 -0.411 . . . . 0.0 111.318 177.771 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 107' ' ' ARG . . . . . 0.454 ' HB3' HG13 ' B' ' 114' ' ' ILE . 49.5 ttt85 -106.65 108.4 19.88 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.196 -169.766 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 108' ' ' GLN . . . . . . . . . . . . . 69.6 tp60 -69.58 124.84 24.97 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.275 176.224 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 109' ' ' ASP . . . . . . . . . . . . . 58.1 p-10 -146.12 -167.48 2.74 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.173 177.471 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 110' ' ' GLU . . . . . . . . . . . . . 24.9 pm0 -66.42 -20.1 65.97 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.147 -177.067 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 111' ' ' HIS . . . . . 0.435 ' O ' ' HA ' ' A' ' 122' ' ' TYR . 56.8 m-70 -83.69 -42.53 16.51 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.275 -0.42 . . . . 0.0 111.23 178.771 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 112' ' ' GLY . . . . . 0.409 ' HA3' ' O ' ' A' ' 121' ' ' LYS . . . 156.28 -119.87 0.95 Allowed Glycine 0 CA--C 1.522 0.53 0 N-CA-C 111.164 -0.775 . . . . 0.0 111.164 -170.547 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 113' ' ' PHE . . . . . . . . . . . . . 55.3 m-85 -114.27 117.77 32.05 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-O 120.865 0.364 . . . . 0.0 111.145 162.934 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 114' ' ' ILE . . . . . 0.454 HG13 ' HB3' ' B' ' 107' ' ' ARG . 46.5 pt -105.03 170.22 2.08 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.202 172.421 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 115' ' ' SER . . . . . 0.406 ' O ' ' HA ' ' A' ' 118' ' ' PHE . 35.1 t -144.2 83.37 1.73 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.181 -177.034 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 116' ' ' ARG . . . . . 0.408 ' O ' ' HA ' ' B' ' 103' ' ' LYS . 90.5 mtm180 -71.97 135.09 46.31 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.31 -0.404 . . . . 0.0 111.332 -172.664 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 117' ' ' GLU . . . . . . . . . . . . . 87.5 tt0 -144.27 135.31 25.29 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.27 171.405 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 118' ' ' PHE . . . . . 0.407 ' HA ' ' O ' ' A' ' 115' ' ' SER . 23.5 p90 -161.15 168.39 24.36 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.208 -174.969 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 119' ' ' HIS . . . . . 0.834 ' O ' ' ND1' ' B' ' 119' ' ' HIS . 17.9 p80 -143.22 81.47 1.71 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.21 174.896 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 120' ' ' ARG . . . . . 0.448 ' HA ' HG22 ' A' ' 114' ' ' ILE . 87.0 mtt-85 -68.14 93.92 0.47 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.187 -163.638 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 121' ' ' LYS . . . . . 0.408 ' O ' ' HA3' ' A' ' 112' ' ' GLY . 97.3 mttt -68.04 76.53 0.23 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.163 -0.472 . . . . 0.0 111.188 -179.603 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 122' ' ' TYR . . . . . 0.483 ' HB2' ' HB ' ' B' ' 98' ' ' ILE . 40.5 m-85 -59.58 106.86 0.51 Allowed 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.233 174.488 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 123' ' ' ARG . . . . . . . . . . . . . 14.8 tpt180 -78.6 113.66 16.83 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.176 -167.953 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 124' ' ' ILE . . . . . . . . . . . . . 84.9 mt -71.3 121.05 83.16 Favored Pre-proline 0 C--N 1.327 -0.379 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.178 -175.2 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 125' ' ' PRO . . . . . . . . . . . . . 78.1 Cg_exo -50.96 143.44 30.79 Favored 'Trans proline' 0 C--N 1.327 -0.554 0 C-N-CA 121.772 1.648 . . . . 0.0 111.178 174.227 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 126' ' ' ALA . . . . . . . . . . . . . . . -62.6 -13.68 34.17 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.102 -176.034 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 127' ' ' ASP . . . . . . . . . . . . . 83.3 m-20 -99.3 13.92 31.41 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.216 -177.39 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 128' ' ' VAL . . . . . . . . . . . . . 82.6 t -121.57 133.8 66.9 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.174 -179.293 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 129' ' ' ASP . . . . . . . . . . . . . 64.0 t0 -83.94 119.33 73.3 Favored Pre-proline 0 C--N 1.328 -0.352 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.161 178.541 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 130' ' ' PRO . . . . . 0.427 ' HA ' HD12 ' B' ' 133' ' ' ILE . 47.3 Cg_endo -70.52 -14.37 33.61 Favored 'Trans proline' 0 N--CA 1.458 -0.598 0 C-N-CA 121.707 1.605 . . . . 0.0 111.27 -174.751 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 131' ' ' LEU . . . . . . . . . . . . . 95.7 mt -88.53 -1.23 57.94 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.258 -178.83 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 132' ' ' THR . . . . . . . . . . . . . 74.7 p -110.55 4.12 20.07 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.175 -178.796 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 133' ' ' ILE . . . . . 0.465 ' HA ' ' HA3' ' B' ' 147' ' ' GLY . 88.3 mt -95.17 121.89 46.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.223 -173.681 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 134' ' ' THR . . . . . . . . . . . . . 55.9 p -107.77 172.77 6.64 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.215 176.734 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 135' ' ' SER . . . . . . . . . . . . . 34.7 t -150.03 140.29 22.22 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.231 -177.797 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 136' ' ' SER . . . . . . . . . . . . . 89.0 p -148.53 156.24 42.18 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.277 -0.42 . . . . 0.0 111.202 179.173 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 137' ' ' LEU . . . . . . . . . . . . . 66.1 tp -134.22 119.46 18.81 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.257 -177.352 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 138' ' ' SER . . . . . . . . . . . . . 60.2 p -78.8 167.29 21.4 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.314 -0.403 . . . . 0.0 111.214 -178.88 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 139' ' ' SER . . . . . . . . . . . . . 86.6 p -70.16 -17.61 63.18 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.24 176.545 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 140' ' ' ASP . . . . . . . . . . . . . 93.4 m-20 -82.92 -10.12 58.97 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.174 177.046 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 141' ' ' GLY . . . . . . . . . . . . . . . 94.55 19.06 33.38 Favored Glycine 0 CA--C 1.522 0.479 0 N-CA-C 111.252 -0.739 . . . . 0.0 111.252 177.277 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 142' ' ' VAL . . . . . . . . . . . . . 67.9 t -84.48 101.68 9.37 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.23 0 CA-C-O 120.69 0.281 . . . . 0.0 111.172 178.328 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 143' ' ' LEU . . . . . . . . . . . . . 60.1 tp -92.3 117.72 30.17 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.23 -179.348 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 144' ' ' THR . . . . . . . . . . . . . 98.7 m -121.66 126.89 50.07 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.267 -175.058 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 145' ' ' VAL . . . . . . . . . . . . . 48.6 t -128.24 121.57 56.01 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 116.335 -0.393 . . . . 0.0 111.235 177.358 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 146' ' ' ASP . . . . . . . . . . . . . 61.8 t0 -153.0 123.37 7.15 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.297 -0.41 . . . . 0.0 111.279 -162.703 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 147' ' ' GLY . . . . . 0.465 ' HA3' ' HA ' ' B' ' 133' ' ' ILE . . . -139.82 131.22 5.04 Favored Glycine 0 CA--C 1.524 0.631 0 N-CA-C 111.189 -0.765 . . . . 0.0 111.189 174.982 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 148' ' ' PRO . . . . . . . . . . . . . 74.9 Cg_exo -54.23 146.35 50.38 Favored 'Trans proline' 0 N--CA 1.457 -0.627 0 C-N-CA 121.622 1.548 . . . . 0.0 111.172 177.614 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 149' ' ' ARG . . . . . . . . . . . . . 81.9 mtp180 -57.36 165.08 1.58 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.232 -179.571 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 150' ' ' LYS . . . . . . . . . . . . . 57.6 pttt -69.97 -15.98 63.12 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.268 -178.245 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 151' ' ' GLN . . . . . . . . . . . . . 99.4 mm-40 -88.07 -4.93 58.71 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.252 179.817 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 152' ' ' VAL . . . . . . . . . . . . . 94.0 t . . . . . 0 C--O 1.22 -0.486 0 CA-C-O 117.957 -1.021 . . . . 0.0 111.183 179.852 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 89.2 tt0 . . . . . 0 CA--C 1.523 -0.089 0 CA-C-O 120.8 0.333 . . . . 0.0 111.22 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 68' ' ' MET . . . . . . . . . . . . . 64.9 ttp -102.36 132.72 48.17 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.162 166.934 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 55.3 ttp180 -158.54 128.41 5.86 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.067 -0.515 . . . . 0.0 111.212 178.447 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 65.6 tp -77.68 109.49 11.71 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.322 -0.399 . . . . 0.0 111.136 166.293 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 71' ' ' GLU . . . . . 0.482 ' O ' ' C ' ' A' ' 72' ' ' LYS . 79.5 mm-40 -68.99 -179.25 1.43 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.101 -0.5 . . . . 0.0 111.235 179.075 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 72' ' ' LYS . . . . . 0.482 ' C ' ' O ' ' A' ' 71' ' ' GLU . 87.9 tttt -29.53 -59.97 0.15 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.123 177.588 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 57.6 p-10 -146.45 46.41 1.21 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.2 176.331 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 74' ' ' ARG . . . . . 0.428 ' HA ' ' HA ' ' A' ' 148' ' ' PRO . 79.2 ttt180 -160.49 127.7 4.36 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.227 -175.732 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 75' ' ' PHE . . . . . . . . . . . . . 37.7 t80 -96.46 117.98 32.02 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.154 -177.937 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 90.1 p -132.81 147.92 52.31 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.217 -177.708 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 77' ' ' VAL . . . . . 0.491 ' O ' ' HA ' ' A' ' 144' ' ' THR . 87.9 t -139.95 136.36 38.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.162 179.256 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 93.6 m-20 -105.56 147.09 28.78 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.207 166.053 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 79' ' ' LEU . . . . . 0.476 ' HB2' ' HB3' ' A' ' 143' ' ' LEU . 73.7 mt -143.14 146.27 33.58 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.206 -173.231 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 58.8 t0 -82.02 113.26 19.78 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.247 -178.811 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 81' ' ' VAL . . . . . 0.741 ' O ' HG12 ' A' ' 81' ' ' VAL . 62.0 t -134.39 45.65 0.48 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.102 170.535 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 82' ' ' LYS . . . . . 0.47 ' HA ' ' HA3' ' A' ' 141' ' ' GLY . 98.5 mttt -78.17 -28.93 48.37 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.158 -165.8 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 41.8 m80 -121.34 3.69 10.29 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.288 -0.415 . . . . 0.0 111.167 -162.654 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 84' ' ' PHE . . . . . 0.442 ' CD1' ' HB2' ' A' ' 104' ' ' HIS . 40.8 p90 -146.31 -179.18 6.56 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.202 177.342 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 85' ' ' SER . . . . . 0.469 ' HB3' ' HD2' ' A' ' 86' ' ' PRO . 69.4 m -128.76 166.92 21.45 Favored Pre-proline 0 C--N 1.328 -0.344 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.212 -154.336 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 86' ' ' PRO . . . . . 0.469 ' HD2' ' HB3' ' A' ' 85' ' ' SER . 87.0 Cg_exo -51.96 -30.24 38.76 Favored 'Trans proline' 0 N--CA 1.457 -0.664 0 C-N-CA 121.665 1.577 . . . . 0.0 111.268 177.807 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 99.8 mt-10 -65.91 -34.9 79.18 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.181 -176.952 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 93.7 mt-10 -103.49 -5.79 22.45 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.16 177.675 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 89' ' ' LEU . . . . . 0.458 ' HB3' ' HA ' ' A' ' 86' ' ' PRO . 46.5 tp -94.21 96.74 9.79 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.123 178.835 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 98.8 mttt -95.63 74.57 3.21 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.18 -173.1 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 97.3 t -61.19 102.68 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.128 174.729 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 99.1 mttt -118.83 150.85 39.13 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.223 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 35.2 m -129.12 152.62 37.47 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.207 171.372 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 94' ' ' LEU . . . . . 0.48 ' HB2' ' HB ' ' A' ' 97' ' ' VAL . 75.5 mt -133.28 74.35 1.56 Allowed 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.233 179.175 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 81.16 -104.64 2.37 Favored Glycine 0 CA--C 1.523 0.593 0 N-CA-C 111.183 -0.767 . . . . 0.0 111.183 179.925 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 48.5 p-10 -97.57 29.86 3.14 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 120.84 0.352 . . . . 0.0 111.163 171.041 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 97' ' ' VAL . . . . . 0.48 ' HB ' ' HB2' ' A' ' 94' ' ' LEU . 99.7 t -124.32 139.85 49.41 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.379 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.253 -177.153 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 98' ' ' ILE . . . . . . . . . . . . . 63.8 mt -118.57 92.74 2.23 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.385 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.13 175.924 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 99' ' ' GLU . . . . . 0.469 ' HA ' ' HA ' ' A' ' 121' ' ' LYS . 84.5 tt0 -97.64 87.83 4.18 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.191 179.555 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 100' ' ' VAL . . . . . 0.505 ' HB ' ' HB2' ' A' ' 120' ' ' ARG . 58.7 t -77.98 73.18 0.55 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.188 176.193 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 101' ' ' HIS . . . . . 0.626 ' O ' ' ND1' ' A' ' 101' ' ' HIS . 15.7 t-80 -60.78 75.66 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.128 175.313 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 102' ' ' GLY . . . . . 0.42 ' N ' ' O ' ' A' ' 100' ' ' VAL . . . -66.87 170.25 33.25 Favored Glycine 0 CA--C 1.524 0.638 0 N-CA-C 111.185 -0.766 . . . . 0.0 111.185 172.324 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 103' ' ' LYS . . . . . 0.422 ' HA ' ' HA ' ' A' ' 117' ' ' GLU . 37.9 ttpt -168.91 124.48 0.91 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.752 0.311 . . . . 0.0 111.177 174.596 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 104' ' ' HIS . . . . . 0.442 ' HB2' ' CD1' ' A' ' 84' ' ' PHE . 23.3 t-160 -111.21 108.47 18.13 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.3 163.053 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 91.2 mt-10 -93.53 166.73 12.11 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.164 174.858 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 95.1 mt-10 49.58 60.27 3.91 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.217 -179.646 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 107' ' ' ARG . . . . . 0.491 ' HB3' HG13 ' A' ' 114' ' ' ILE . 55.7 ttt85 -109.84 90.77 3.41 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.305 -0.407 . . . . 0.0 111.189 -173.028 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 108' ' ' GLN . . . . . . . . . . . . . 90.2 mt-30 -60.37 137.3 58.16 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.142 175.927 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 56.1 p30 -154.61 -147.75 0.22 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.246 177.193 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 58.9 mp0 -66.98 -18.69 65.5 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.235 -0.438 . . . . 0.0 111.195 -174.548 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 111' ' ' HIS . . . . . . . . . . . . . 23.5 p-80 -135.14 94.73 3.17 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.119 174.87 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 41.03 -139.37 1.48 Allowed Glycine 0 CA--C 1.524 0.612 0 N-CA-C 111.212 -0.755 . . . . 0.0 111.212 179.954 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 113' ' ' PHE . . . . . . . . . . . . . 66.7 m-85 -86.35 150.15 24.54 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.826 0.346 . . . . 0.0 111.294 -178.444 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 114' ' ' ILE . . . . . 0.491 HG13 ' HB3' ' A' ' 107' ' ' ARG . 34.2 pt -134.35 -161.56 0.28 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.15 161.156 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 115' ' ' SER . . . . . 0.455 ' O ' ' HA ' ' B' ' 118' ' ' PHE . 37.7 t -158.63 143.81 16.32 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.256 168.389 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 116' ' ' ARG . . . . . . . . . . . . . 69.5 mtm180 -111.41 84.34 1.93 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.087 175.986 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 117' ' ' GLU . . . . . 0.423 ' HB3' ' HB3' ' B' ' 117' ' ' GLU . 87.2 tt0 -95.59 117.29 30.17 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.081 -0.509 . . . . 0.0 111.157 179.866 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 118' ' ' PHE . . . . . 0.448 ' HA ' ' O ' ' B' ' 115' ' ' SER . 77.4 m-85 -102.81 157.92 16.62 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.077 -165.813 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 119' ' ' HIS . . . . . . . . . . . . . 79.5 m80 -130.8 66.03 1.53 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.201 164.559 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 120' ' ' ARG . . . . . 0.505 ' HB2' ' HB ' ' A' ' 100' ' ' VAL . 89.2 mtt180 -76.57 73.2 3.28 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.229 -162.592 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 121' ' ' LYS . . . . . 0.469 ' HA ' ' HA ' ' A' ' 99' ' ' GLU . 39.8 ttmt -93.88 96.6 9.83 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.262 -171.329 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 122' ' ' TYR . . . . . . . . . . . . . 41.1 p90 -121.83 145.1 48.4 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.052 -0.522 . . . . 0.0 111.154 173.543 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 123' ' ' ARG . . . . . 0.404 ' HG3' HG22 ' A' ' 97' ' ' VAL . 9.9 mpt_? -94.11 159.51 15.12 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.264 -0.425 . . . . 0.0 111.175 -164.684 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 124' ' ' ILE . . . . . . . . . . . . . 68.1 mt -89.21 127.17 56.29 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.089 177.383 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 125' ' ' PRO . . . . . . . . . . . . . 81.8 Cg_exo -48.87 140.14 23.92 Favored 'Trans proline' 0 C--N 1.328 -0.539 0 C-N-CA 121.734 1.623 . . . . 0.0 111.192 174.024 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . -60.38 -16.43 35.41 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.142 -176.191 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 127' ' ' ASP . . . . . . . . . . . . . 78.0 m-20 -101.55 16.57 25.28 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.264 -0.425 . . . . 0.0 111.231 -177.736 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 128' ' ' VAL . . . . . . . . . . . . . 92.8 t -127.61 133.47 67.62 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.251 -179.569 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 64.8 t0 -85.47 118.43 70.69 Favored Pre-proline 0 C--N 1.328 -0.327 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.196 -176.186 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 130' ' ' PRO . . . . . . . . . . . . . 82.7 Cg_exo -52.62 -33.66 59.84 Favored 'Trans proline' 0 N--CA 1.458 -0.574 0 C-N-CA 121.676 1.584 . . . . 0.0 111.19 179.903 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 131' ' ' LEU . . . . . . . . . . . . . 95.8 mt -72.95 -22.27 60.74 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.197 -173.24 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 132' ' ' THR . . . . . . . . . . . . . 81.4 p -90.7 -4.05 57.03 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.147 -178.395 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 133' ' ' ILE . . . . . 0.424 ' HA ' ' HA3' ' A' ' 147' ' ' GLY . 99.3 mt -88.72 121.48 38.97 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.314 -0.403 . . . . 0.0 111.221 179.488 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 134' ' ' THR . . . . . . . . . . . . . 92.8 m -127.07 134.93 50.18 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.181 -178.805 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 135' ' ' SER . . . . . . . . . . . . . 79.5 p -89.57 159.13 17.35 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.305 -0.407 . . . . 0.0 111.274 178.343 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 136' ' ' SER . . . . . . . . . . . . . 43.4 t -159.47 122.39 3.58 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.224 179.345 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 137' ' ' LEU . . . . . . . . . . . . . 69.1 tp -102.25 120.61 40.76 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.216 -176.099 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 138' ' ' SER . . . . . . . . . . . . . 74.8 p -81.56 167.01 19.74 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.176 -177.227 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 139' ' ' SER . . . . . . . . . . . . . 86.1 p -69.6 -18.97 63.66 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.174 176.847 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 140' ' ' ASP . . . . . . . . . . . . . 91.5 m-20 -83.5 -7.16 59.59 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.168 176.602 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 141' ' ' GLY . . . . . 0.47 ' HA3' ' HA ' ' A' ' 82' ' ' LYS . . . 82.94 45.25 6.77 Favored Glycine 0 CA--C 1.524 0.633 0 N-CA-C 111.155 -0.778 . . . . 0.0 111.155 179.407 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 142' ' ' VAL . . . . . . . . . . . . . 67.6 t -118.83 113.98 43.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-O 120.729 0.3 . . . . 0.0 111.261 171.767 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 143' ' ' LEU . . . . . 0.476 ' HB3' ' HB2' ' A' ' 79' ' ' LEU . 38.1 tp -89.79 117.41 28.61 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.191 179.519 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 144' ' ' THR . . . . . 0.491 ' HA ' ' O ' ' A' ' 77' ' ' VAL . 99.9 m -107.74 109.51 21.1 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.217 -175.929 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 145' ' ' VAL . . . . . . . . . . . . . 62.6 t -106.63 109.54 28.41 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.389 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.246 -179.993 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 146' ' ' ASP . . . . . 0.484 ' C ' ' OD1' ' A' ' 146' ' ' ASP . 23.6 t0 -148.01 119.17 7.75 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.079 -161.54 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 147' ' ' GLY . . . . . 0.424 ' HA3' ' HA ' ' A' ' 133' ' ' ILE . . . -137.12 133.06 6.26 Favored Glycine 0 CA--C 1.525 0.71 0 N-CA-C 111.069 -0.812 . . . . 0.0 111.069 171.067 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 148' ' ' PRO . . . . . 0.428 ' HA ' ' HA ' ' A' ' 74' ' ' ARG . 50.1 Cg_exo -60.05 162.63 16.04 Favored 'Trans proline' 0 N--CA 1.458 -0.6 0 C-N-CA 121.657 1.572 . . . . 0.0 111.275 178.369 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 149' ' ' ARG . . . . . . . . . . . . . 95.8 mtt180 . . . . . 0 C--N 1.329 -0.295 0 CA-C-N 116.282 -0.417 . . . . 0.0 111.215 179.194 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' B' B ' 67' ' ' GLU . . . . . . . . . . . . . 89.2 tt0 . . . . . 0 C--O 1.23 0.069 0 CA-C-O 120.739 0.304 . . . . 0.0 111.251 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' B' B ' 68' ' ' MET . . . . . . . . . . . . . 65.0 ttp -102.25 132.63 48.07 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.291 166.91 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 69' ' ' ARG . . . . . . . . . . . . . 55.4 ttp180 -158.55 128.36 5.83 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.282 178.438 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 70' ' ' LEU . . . . . . . . . . . . . 65.6 tp -77.58 109.49 11.59 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.33 -0.395 . . . . 0.0 111.169 166.374 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 71' ' ' GLU . . . . . 0.476 ' O ' ' C ' ' B' ' 72' ' ' LYS . 79.3 mm-40 -69.06 -179.37 1.5 Allowed 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.214 179.097 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 72' ' ' LYS . . . . . 0.476 ' C ' ' O ' ' B' ' 71' ' ' GLU . 88.0 tttt -29.29 -60.02 0.14 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.17 177.561 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 73' ' ' ASP . . . . . . . . . . . . . 57.6 p-10 -146.53 46.49 1.21 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.114 176.354 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 74' ' ' ARG . . . . . 0.434 ' HA ' ' HA ' ' B' ' 148' ' ' PRO . 79.3 ttt180 -160.56 127.72 4.32 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.175 -175.767 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 75' ' ' PHE . . . . . . . . . . . . . 37.6 t80 -96.43 117.9 31.84 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.257 -178.049 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 76' ' ' SER . . . . . . . . . . . . . 89.8 p -132.73 147.89 52.33 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.121 -177.623 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 77' ' ' VAL . . . . . 0.484 ' O ' ' HA ' ' B' ' 144' ' ' THR . 87.3 t -139.85 136.29 38.82 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.217 179.207 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 78' ' ' ASN . . . . . . . . . . . . . 93.6 m-20 -105.61 147.04 28.89 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.279 -0.418 . . . . 0.0 111.262 166.011 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 79' ' ' LEU . . . . . 0.487 ' HB2' ' HB3' ' B' ' 143' ' ' LEU . 74.0 mt -143.07 146.36 33.73 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.208 -173.132 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 80' ' ' ASP . . . . . . . . . . . . . 58.9 t0 -82.13 113.21 19.83 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.154 -178.746 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 81' ' ' VAL . . . . . 0.732 HG12 ' O ' ' B' ' 81' ' ' VAL . 62.0 t -134.34 45.69 0.48 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.132 170.447 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 82' ' ' LYS . . . . . 0.481 ' HA ' ' HA3' ' B' ' 141' ' ' GLY . 98.5 mttt -78.14 -28.92 48.51 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.182 -165.778 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 83' ' ' HIS . . . . . . . . . . . . . 41.8 m80 -121.37 3.63 10.27 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.163 -162.601 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 84' ' ' PHE . . . . . 0.452 ' CD1' ' HB2' ' B' ' 104' ' ' HIS . 40.8 p90 -146.23 -179.11 6.51 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.192 177.354 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 85' ' ' SER . . . . . 0.453 ' HB3' ' HD2' ' B' ' 86' ' ' PRO . 69.4 m -128.88 166.75 22.79 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.224 -154.272 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 86' ' ' PRO . . . . . 0.454 ' HA ' ' HB3' ' B' ' 89' ' ' LEU . 86.5 Cg_exo -51.75 -30.42 37.56 Favored 'Trans proline' 0 N--CA 1.457 -0.621 0 C-N-CA 121.722 1.614 . . . . 0.0 111.267 177.765 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 87' ' ' GLU . . . . . . . . . . . . . 99.8 mt-10 -65.7 -35.06 79.66 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.092 -0.504 . . . . 0.0 111.186 -176.892 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 88' ' ' GLU . . . . . . . . . . . . . 93.8 mt-10 -103.49 -5.81 22.43 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.13 -0.487 . . . . 0.0 111.122 177.805 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 89' ' ' LEU . . . . . 0.454 ' HB3' ' HA ' ' B' ' 86' ' ' PRO . 46.6 tp -94.16 96.73 9.8 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.175 178.765 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 90' ' ' LYS . . . . . . . . . . . . . 98.8 mttt -95.61 74.6 3.22 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.128 -173.053 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 91' ' ' VAL . . . . . . . . . . . . . 97.6 t -61.27 102.68 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.302 -0.408 . . . . 0.0 111.147 174.758 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 92' ' ' LYS . . . . . . . . . . . . . 99.1 mttt -118.78 150.8 39.19 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.215 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 93' ' ' VAL . . . . . . . . . . . . . 34.9 m -129.02 152.65 37.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.192 171.295 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 94' ' ' LEU . . . . . 0.475 ' HB2' ' HB ' ' B' ' 97' ' ' VAL . 75.5 mt -133.31 74.5 1.57 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.073 -0.512 . . . . 0.0 111.207 179.134 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 95' ' ' GLY . . . . . . . . . . . . . . . 81.04 -104.54 2.35 Favored Glycine 0 CA--C 1.524 0.645 0 N-CA-C 111.219 -0.752 . . . . 0.0 111.219 179.927 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 96' ' ' ASP . . . . . . . . . . . . . 48.4 p-10 -97.64 29.97 3.12 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.704 0.288 . . . . 0.0 111.099 171.026 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 97' ' ' VAL . . . . . 0.475 ' HB ' ' HB2' ' B' ' 94' ' ' LEU . 97.3 t -124.46 139.9 49.34 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.366 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.179 -177.215 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 98' ' ' ILE . . . . . . . . . . . . . 64.0 mt -118.6 92.76 2.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.134 175.926 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 99' ' ' GLU . . . . . 0.476 ' HA ' ' HA ' ' B' ' 121' ' ' LYS . 84.5 tt0 -97.59 87.81 4.18 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.168 179.627 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 100' ' ' VAL . . . . . 0.503 ' HB ' ' HB2' ' B' ' 120' ' ' ARG . 58.7 t -78.04 73.14 0.55 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.381 0 CA-C-N 116.286 -0.415 . . . . 0.0 111.169 176.228 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 101' ' ' HIS . . . . . 0.64 ' O ' ' ND1' ' B' ' 101' ' ' HIS . 15.5 t-80 -60.67 75.53 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.183 175.231 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 102' ' ' GLY . . . . . 0.432 ' N ' ' O ' ' B' ' 100' ' ' VAL . . . -66.7 170.3 32.46 Favored Glycine 0 CA--C 1.523 0.592 0 N-CA-C 111.226 -0.749 . . . . 0.0 111.226 172.305 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 103' ' ' LYS . . . . . 0.429 ' HA ' ' HA ' ' B' ' 117' ' ' GLU . 37.9 ttpt -169.01 124.42 0.89 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.763 0.316 . . . . 0.0 111.151 174.548 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 104' ' ' HIS . . . . . 0.452 ' HB2' ' CD1' ' B' ' 84' ' ' PHE . 23.3 t-160 -111.09 108.34 18.02 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.273 163.094 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 105' ' ' GLU . . . . . . . . . . . . . 91.2 mt-10 -93.53 166.75 12.1 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.272 174.722 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 106' ' ' GLU . . . . . . . . . . . . . 95.0 mt-10 49.62 60.22 3.94 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.229 -179.654 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 107' ' ' ARG . . . . . 0.49 ' HB3' HG13 ' B' ' 114' ' ' ILE . 55.8 ttt85 -109.89 90.86 3.43 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.131 -173.001 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 108' ' ' GLN . . . . . . . . . . . . . 90.2 mt-30 -60.45 137.3 58.17 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.153 175.962 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 109' ' ' ASP . . . . . . . . . . . . . 56.3 p30 -154.5 -147.61 0.22 Allowed 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.174 177.249 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 110' ' ' GLU . . . . . . . . . . . . . 58.9 mp0 -67.16 -18.66 65.37 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.151 -174.544 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 111' ' ' HIS . . . . . . . . . . . . . 23.6 p-80 -135.14 94.58 3.15 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.091 174.916 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 112' ' ' GLY . . . . . . . . . . . . . . . 41.11 -139.38 1.54 Allowed Glycine 0 CA--C 1.523 0.535 0 N-CA-C 111.164 -0.774 . . . . 0.0 111.164 179.892 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 113' ' ' PHE . . . . . . . . . . . . . 66.8 m-85 -86.27 150.22 24.51 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 120.799 0.333 . . . . 0.0 111.294 -178.481 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 114' ' ' ILE . . . . . 0.49 HG13 ' HB3' ' B' ' 107' ' ' ARG . 34.0 pt -134.37 -161.61 0.28 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.169 161.149 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 115' ' ' SER . . . . . 0.448 ' O ' ' HA ' ' A' ' 118' ' ' PHE . 37.6 t -158.61 143.75 16.3 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.267 168.336 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 116' ' ' ARG . . . . . . . . . . . . . 69.4 mtm180 -111.34 84.29 1.92 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.171 175.957 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 117' ' ' GLU . . . . . 0.429 ' HA ' ' HA ' ' B' ' 103' ' ' LYS . 87.3 tt0 -95.44 117.08 29.72 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.079 -0.51 . . . . 0.0 111.278 179.835 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 118' ' ' PHE . . . . . 0.455 ' HA ' ' O ' ' A' ' 115' ' ' SER . 77.4 m-85 -102.68 157.92 16.6 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.284 -0.416 . . . . 0.0 111.144 -165.827 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 119' ' ' HIS . . . . . . . . . . . . . 79.5 m80 -130.87 66.1 1.54 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.136 164.641 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 120' ' ' ARG . . . . . 0.503 ' HB2' ' HB ' ' B' ' 100' ' ' VAL . 89.2 mtt180 -76.6 73.12 3.3 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.253 -162.598 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 121' ' ' LYS . . . . . 0.476 ' HA ' ' HA ' ' B' ' 99' ' ' GLU . 39.8 ttmt -93.85 96.61 9.85 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.099 -171.205 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 122' ' ' TYR . . . . . . . . . . . . . 41.5 p90 -121.76 145.11 48.36 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.195 173.35 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 123' ' ' ARG . . . . . 0.403 ' HG3' HG22 ' B' ' 97' ' ' VAL . 9.9 mpt_? -94.08 159.58 15.09 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.179 -164.733 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 124' ' ' ILE . . . . . . . . . . . . . 67.7 mt -89.24 127.1 56.49 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.178 177.382 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 125' ' ' PRO . . . . . 0.4 ' HB2' HG23 ' B' ' 128' ' ' VAL . 81.2 Cg_exo -48.86 140.18 23.81 Favored 'Trans proline' 0 N--CA 1.459 -0.542 0 C-N-CA 121.686 1.59 . . . . 0.0 111.227 174.097 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 126' ' ' ALA . . . . . . . . . . . . . . . -60.35 -16.35 34.35 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.259 -176.261 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 127' ' ' ASP . . . . . . . . . . . . . 77.9 m-20 -101.63 16.61 25.21 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.196 -177.736 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 128' ' ' VAL . . . . . 0.4 HG23 ' HB2' ' B' ' 125' ' ' PRO . 93.0 t -127.54 133.34 67.97 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.197 -179.48 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 129' ' ' ASP . . . . . . . . . . . . . 64.8 t0 -85.43 118.47 70.78 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.273 -176.361 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 130' ' ' PRO . . . . . . . . . . . . . 80.4 Cg_exo -52.56 -33.75 59.57 Favored 'Trans proline' 0 N--CA 1.458 -0.615 0 C-N-CA 121.638 1.559 . . . . 0.0 111.256 179.879 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 131' ' ' LEU . . . . . . . . . . . . . 95.7 mt -72.91 -22.21 60.78 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.228 -173.229 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 132' ' ' THR . . . . . . . . . . . . . 81.4 p -90.89 -3.85 57.02 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.225 -178.482 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 133' ' ' ILE . . . . . 0.433 ' HA ' ' HA3' ' B' ' 147' ' ' GLY . 99.6 mt -88.8 121.46 39.0 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.224 -0.443 . . . . 0.0 111.196 179.454 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 134' ' ' THR . . . . . . . . . . . . . 92.4 m -127.09 134.89 50.17 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.195 -178.804 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 135' ' ' SER . . . . . . . . . . . . . 79.1 p -89.63 159.13 17.3 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.233 178.392 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 136' ' ' SER . . . . . . . . . . . . . 43.4 t -159.45 122.46 3.6 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.2 179.371 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 137' ' ' LEU . . . . . . . . . . . . . 69.1 tp -102.31 120.5 40.59 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.232 -176.112 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 138' ' ' SER . . . . . . . . . . . . . 74.4 p -81.34 167.08 19.88 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.202 -177.279 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 139' ' ' SER . . . . . . . . . . . . . 86.3 p -69.84 -18.74 63.46 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.182 176.798 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 140' ' ' ASP . . . . . . . . . . . . . 91.5 m-20 -83.64 -7.06 59.58 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.181 176.476 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 141' ' ' GLY . . . . . 0.481 ' HA3' ' HA ' ' B' ' 82' ' ' LYS . . . 82.95 45.21 6.77 Favored Glycine 0 CA--C 1.524 0.628 0 N-CA-C 111.227 -0.749 . . . . 0.0 111.227 179.357 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 142' ' ' VAL . . . . . . . . . . . . . 67.9 t -118.84 113.87 42.99 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-O 120.778 0.323 . . . . 0.0 111.265 171.862 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 143' ' ' LEU . . . . . 0.487 ' HB3' ' HB2' ' B' ' 79' ' ' LEU . 38.0 tp -89.7 117.34 28.5 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.221 179.54 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 144' ' ' THR . . . . . 0.484 ' HA ' ' O ' ' B' ' 77' ' ' VAL . 99.0 m -107.73 109.38 20.95 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.238 -175.842 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 145' ' ' VAL . . . . . . . . . . . . . 61.6 t -106.59 109.47 28.16 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.396 0 CA-C-N 116.326 -0.397 . . . . 0.0 111.261 -179.93 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 146' ' ' ASP . . . . . 0.492 ' OD1' ' C ' ' B' ' 146' ' ' ASP . 23.6 t0 -147.98 119.05 7.69 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.203 -161.569 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 147' ' ' GLY . . . . . 0.433 ' HA3' ' HA ' ' B' ' 133' ' ' ILE . . . -136.99 133.01 6.25 Favored Glycine 0 CA--C 1.523 0.537 0 N-CA-C 111.19 -0.764 . . . . 0.0 111.19 171.131 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 148' ' ' PRO . . . . . 0.434 ' HA ' ' HA ' ' B' ' 74' ' ' ARG . 50.4 Cg_exo -60.04 162.62 16.03 Favored 'Trans proline' 0 N--CA 1.459 -0.52 0 C-N-CA 121.713 1.609 . . . . 0.0 111.249 178.404 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 149' ' ' ARG . . . . . . . . . . . . . 95.8 mtt180 . . . . . 0 C--N 1.329 -0.317 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.213 179.157 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 87.5 tt0 . . . . . 0 C--O 1.231 0.121 0 CA-C-O 120.792 0.33 . . . . 0.0 111.128 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 68' ' ' MET . . . . . . . . . . . . . 59.2 ttm -37.57 119.52 0.73 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.178 178.4 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 78.9 ttt180 -118.74 117.7 29.62 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.22 -178.101 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 70' ' ' LEU . . . . . 0.412 ' HG ' ' HB3' ' A' ' 75' ' ' PHE . 9.5 mp -81.31 113.26 19.3 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.257 -179.64 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 71' ' ' GLU . . . . . 0.635 ' O ' ' C ' ' A' ' 72' ' ' LYS . 81.4 mm-40 -85.32 178.48 7.46 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.163 170.089 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 72' ' ' LYS . . . . . 0.635 ' C ' ' O ' ' A' ' 71' ' ' GLU . 88.1 tttt -13.4 -70.44 0.01 OUTLIER 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.212 -177.019 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 57.4 p-10 -143.05 44.42 1.56 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.099 -0.5 . . . . 0.0 111.256 178.33 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 79.6 ttt180 -170.82 135.76 1.11 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.058 -0.519 . . . . 0.0 111.162 -175.917 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 75' ' ' PHE . . . . . 0.432 ' CZ ' HG13 ' A' ' 128' ' ' VAL . 39.2 p90 -112.52 159.04 19.19 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.15 -176.823 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 97.5 p -144.27 158.48 43.71 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.06 -0.518 . . . . 0.0 111.234 177.685 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 76.2 t -133.86 144.74 34.81 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.373 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.276 -176.882 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 40.4 t-20 -125.84 103.98 8.08 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.165 176.581 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 81.1 mt -116.02 152.62 33.19 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.141 176.823 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 60.1 t0 -101.93 113.72 27.18 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.184 -178.781 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 20.9 m -132.42 46.24 0.51 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.225 177.379 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 82' ' ' LYS . . . . . 0.405 ' O ' ' HB2' ' A' ' 83' ' ' HIS . 83.8 tttt -79.35 137.92 37.49 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.163 -0.472 . . . . 0.0 111.16 178.699 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 83' ' ' HIS . . . . . 0.405 ' HB2' ' O ' ' A' ' 82' ' ' LYS . 66.7 m-70 72.21 34.26 1.42 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.069 -0.514 . . . . 0.0 111.177 -175.991 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 84' ' ' PHE . . . . . . . . . . . . . 66.1 m-85 -122.84 145.64 48.26 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.27 172.783 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 85' ' ' SER . . . . . 0.426 ' O ' ' N ' ' A' ' 89' ' ' LEU . 74.4 m -109.9 151.0 42.14 Favored Pre-proline 0 C--N 1.327 -0.391 0 CA-C-N 116.288 -0.414 . . . . 0.0 111.252 178.087 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 86' ' ' PRO . . . . . 0.414 ' HD3' ' HA ' ' A' ' 85' ' ' SER . 71.7 Cg_exo -55.39 -26.13 51.66 Favored 'Trans proline' 0 N--CA 1.457 -0.641 0 C-N-CA 121.715 1.61 . . . . 0.0 111.294 179.137 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 99.8 mt-10 -66.72 -26.67 67.11 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.284 -179.766 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 80.6 mm-40 -121.78 -7.49 9.02 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.084 -0.507 . . . . 0.0 111.146 -178.95 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 89' ' ' LEU . . . . . 0.426 ' N ' ' O ' ' A' ' 85' ' ' SER . 64.0 tp -108.06 116.96 32.92 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.15 -175.828 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 98.9 mttt -122.54 146.0 47.81 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.226 -175.11 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 64.2 t -124.86 110.48 25.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.214 172.386 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 87.1 tttt -125.79 147.24 49.47 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.169 -171.517 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 93' ' ' VAL . . . . . 0.413 ' HA ' ' HA ' ' A' ' 98' ' ' ILE . 61.9 t -111.79 116.35 52.33 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.421 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.131 166.097 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 94' ' ' LEU . . . . . 0.452 ' HB3' HG23 ' A' ' 97' ' ' VAL . 68.9 tp -105.94 68.64 0.78 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.123 -0.489 . . . . 0.0 111.234 -172.41 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 79.41 -104.91 2.2 Favored Glycine 0 CA--C 1.523 0.591 0 N-CA-C 111.086 -0.805 . . . . 0.0 111.086 173.125 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 89.4 m-20 -88.21 -5.96 58.1 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 120.831 0.348 . . . . 0.0 111.261 -178.315 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 97' ' ' VAL . . . . . 0.452 HG23 ' HB3' ' A' ' 94' ' ' LEU . 28.9 m -123.11 164.85 20.05 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.171 178.824 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 98' ' ' ILE . . . . . 0.413 ' HA ' ' HA ' ' A' ' 93' ' ' VAL . 91.4 mt -113.78 96.31 4.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.176 175.485 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 86.5 tt0 -83.47 90.15 7.17 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.222 -172.494 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 100' ' ' VAL . . . . . . . . . . . . . 91.8 t -89.05 120.32 37.55 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.228 171.013 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 101' ' ' HIS . . . . . 0.532 ' N ' ' CD2' ' A' ' 101' ' ' HIS . 0.1 OUTLIER -143.62 130.63 20.58 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.17 -165.521 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . -134.25 -173.07 13.03 Favored Glycine 0 CA--C 1.524 0.647 0 N-CA-C 111.164 -0.774 . . . . 0.0 111.164 -171.485 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 103' ' ' LYS . . . . . 0.403 ' HA ' ' O ' ' A' ' 116' ' ' ARG . 87.5 tttt -170.58 120.18 0.57 Allowed 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 120.848 0.356 . . . . 0.0 111.219 172.087 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 104' ' ' HIS . . . . . . . . . . . . . 23.8 t-160 -119.66 111.49 18.11 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.358 -0.383 . . . . 0.0 111.16 170.851 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 99.8 mt-10 -81.18 -59.06 2.79 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.195 -166.443 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 106' ' ' GLU . . . . . 0.435 ' HA ' ' CD1' ' A' ' 113' ' ' PHE . 98.1 mt-10 -90.12 86.79 6.65 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.185 176.998 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 107' ' ' ARG . . . . . 0.503 ' HB3' HG13 ' A' ' 114' ' ' ILE . 59.7 ttt85 -122.7 85.32 2.4 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.133 -174.4 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 108' ' ' GLN . . . . . . . . . . . . . 68.6 tp60 -44.58 123.31 3.55 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.181 177.632 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 9.6 t0 -133.81 -157.87 0.84 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.2 -177.595 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 92.4 mt-10 -67.71 -31.74 71.89 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.18 177.705 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 111' ' ' HIS . . . . . . . . . . . . . 68.7 m80 -119.93 87.29 2.72 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.076 179.398 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 66.08 -133.47 33.99 Favored Glycine 0 CA--C 1.525 0.66 0 N-CA-C 111.143 -0.783 . . . . 0.0 111.143 -176.273 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 113' ' ' PHE . . . . . 0.435 ' CD1' ' HA ' ' A' ' 106' ' ' GLU . 22.9 p90 -118.96 148.62 42.76 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.71 0.291 . . . . 0.0 111.355 166.96 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 114' ' ' ILE . . . . . 0.503 HG13 ' HB3' ' A' ' 107' ' ' ARG . 45.6 pt -110.87 152.23 12.88 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.37 0 CA-C-N 116.311 -0.404 . . . . 0.0 111.175 -176.233 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 115' ' ' SER . . . . . 0.407 ' HB3' ' HB2' ' B' ' 119' ' ' HIS . 41.0 t -123.03 95.29 4.56 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.235 -0.438 . . . . 0.0 111.194 175.239 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 116' ' ' ARG . . . . . 0.403 ' O ' ' HA ' ' A' ' 103' ' ' LYS . 97.0 mtt180 -107.47 117.78 34.98 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.222 -171.843 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 88.9 tt0 -98.62 120.97 39.95 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.22 172.266 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 118' ' ' PHE . . . . . . . . . . . . . 91.9 m-85 -104.39 143.11 33.44 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.218 -166.029 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 119' ' ' HIS . . . . . 0.42 ' HB2' ' HB3' ' B' ' 115' ' ' SER . 49.0 m80 -133.85 156.39 48.16 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.304 -0.407 . . . . 0.0 111.252 155.599 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 120' ' ' ARG . . . . . 0.538 ' CG ' ' O ' ' A' ' 120' ' ' ARG . 13.3 ptp180 -155.64 104.39 2.35 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.172 168.225 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 121' ' ' LYS . . . . . . . . . . . . . 93.6 mttt -90.47 89.53 7.61 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.225 -179.377 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 122' ' ' TYR . . . . . . . . . . . . . 80.1 t80 -88.57 122.97 32.6 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.226 -174.775 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 123' ' ' ARG . . . . . . . . . . . . . 1.5 mpp_? -73.34 138.95 45.68 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.154 -170.55 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 124' ' ' ILE . . . . . . . . . . . . . 84.7 mt -91.34 115.13 63.81 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.298 -173.539 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 125' ' ' PRO . . . . . . . . . . . . . 52.1 Cg_exo -55.44 154.88 22.58 Favored 'Trans proline' 0 N--CA 1.459 -0.534 0 C-N-CA 121.655 1.57 . . . . 0.0 111.218 171.867 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . -64.8 -11.95 42.53 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.232 179.065 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 127' ' ' ASP . . . . . . . . . . . . . 78.9 m-20 -103.06 12.24 36.2 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.101 -0.5 . . . . 0.0 111.135 -179.393 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 128' ' ' VAL . . . . . 0.432 HG13 ' CZ ' ' A' ' 75' ' ' PHE . 54.7 t -122.03 138.6 51.74 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.396 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.268 -177.456 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 65.2 t0 -132.09 115.34 15.26 Favored Pre-proline 0 C--N 1.328 -0.357 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.186 -175.667 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 130' ' ' PRO . . . . . . . . . . . . . 90.1 Cg_endo -81.31 5.27 6.37 Favored 'Trans proline' 0 N--CA 1.458 -0.6 0 C-N-CA 121.616 1.544 . . . . 0.0 111.125 -173.826 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 131' ' ' LEU . . . . . . . . . . . . . 94.0 mt -99.12 3.24 46.57 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.175 173.204 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 132' ' ' THR . . . . . . . . . . . . . 69.6 p -114.49 8.37 16.45 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.207 -179.542 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 133' ' ' ILE . . . . . . . . . . . . . 43.3 pt -101.58 153.02 5.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.129 -170.49 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 134' ' ' THR . . . . . . . . . . . . . 62.7 m -134.29 91.29 2.78 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.216 172.475 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 135' ' ' SER . . . . . . . . . . . . . 76.9 p -65.16 157.34 29.0 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.224 179.562 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 136' ' ' SER . . . . . . . . . . . . . 43.3 t -171.67 146.95 2.22 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.216 -176.855 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 137' ' ' LEU . . . . . . . . . . . . . 7.2 mp -103.55 134.14 47.4 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.183 178.944 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 138' ' ' SER . . . . . . . . . . . . . 53.2 p -81.24 176.61 9.61 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.229 178.562 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 139' ' ' SER . . . . . . . . . . . . . 87.3 p -68.43 -16.12 63.79 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.189 175.334 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 140' ' ' ASP . . . . . . . . . . . . . 85.3 m-20 -95.92 -1.51 49.1 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.229 178.006 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 141' ' ' GLY . . . . . . . . . . . . . . . 83.07 33.88 22.48 Favored Glycine 0 CA--C 1.523 0.548 0 N-CA-C 111.277 -0.729 . . . . 0.0 111.277 178.699 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 142' ' ' VAL . . . . . . . . . . . . . 98.2 t -99.7 116.04 42.02 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-O 120.885 0.374 . . . . 0.0 111.114 178.847 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 143' ' ' LEU . . . . . . . . . . . . . 64.7 tp -78.92 121.5 24.96 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.176 176.866 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 144' ' ' THR . . . . . . . . . . . . . 87.0 m -119.36 96.08 5.06 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.212 -175.502 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 145' ' ' VAL . . . . . . . . . . . . . 65.0 t -91.22 118.41 36.46 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.369 0 CA-C-N 116.291 -0.413 . . . . 0.0 111.207 174.181 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 146' ' ' ASP . . . . . . . . . . . . . 3.6 p30 -151.1 142.08 23.0 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.182 -171.078 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 147' ' ' GLY . . . . . . . . . . . . . . . -171.54 151.99 16.68 Favored Glycine 0 CA--C 1.522 0.53 0 N-CA-C 111.228 -0.749 . . . . 0.0 111.228 -176.502 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 148' ' ' PRO . . . . . . . . . . . . . 76.1 Cg_exo -54.56 151.89 29.27 Favored 'Trans proline' 0 N--CA 1.458 -0.601 0 C-N-CA 121.724 1.616 . . . . 0.0 111.231 175.973 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 149' ' ' ARG . . . . . . . . . . . . . 98.4 mtt180 . . . . . 0 C--N 1.329 -0.294 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.213 -179.436 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' B' B ' 67' ' ' GLU . . . . . . . . . . . . . 87.4 tt0 . . . . . 0 N--CA 1.457 -0.075 0 CA-C-O 120.819 0.343 . . . . 0.0 111.147 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' B' B ' 68' ' ' MET . . . . . . . . . . . . . 59.2 ttm -37.57 119.48 0.73 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.176 178.506 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 69' ' ' ARG . . . . . . . . . . . . . 78.9 ttt180 -118.74 117.78 29.82 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.16 -178.052 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 70' ' ' LEU . . . . . 0.41 ' HG ' ' HB3' ' B' ' 75' ' ' PHE . 9.5 mp -81.38 113.24 19.34 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.258 -179.681 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 71' ' ' GLU . . . . . 0.617 ' O ' ' C ' ' B' ' 72' ' ' LYS . 81.4 mm-40 -85.25 178.52 7.46 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.163 -0.472 . . . . 0.0 111.186 169.997 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 72' ' ' LYS . . . . . 0.617 ' C ' ' O ' ' B' ' 71' ' ' GLU . 88.1 tttt -13.6 -70.43 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.181 -176.883 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 73' ' ' ASP . . . . . . . . . . . . . 57.4 p-10 -142.83 44.4 1.59 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.284 -0.416 . . . . 0.0 111.278 178.326 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 74' ' ' ARG . . . . . . . . . . . . . 79.7 ttt180 -170.88 135.59 1.07 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.216 -175.767 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 75' ' ' PHE . . . . . 0.419 ' CZ ' HG13 ' B' ' 128' ' ' VAL . 39.3 p90 -112.36 159.08 19.04 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.201 -176.741 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 76' ' ' SER . . . . . . . . . . . . . 97.5 p -144.3 158.48 43.71 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.283 177.587 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 77' ' ' VAL . . . . . . . . . . . . . 75.6 t -133.85 144.73 34.84 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.17 -176.79 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 78' ' ' ASN . . . . . . . . . . . . . 40.3 t-20 -125.84 103.97 8.07 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.324 176.414 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 79' ' ' LEU . . . . . . . . . . . . . 80.9 mt -115.97 152.52 33.34 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.223 176.888 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 80' ' ' ASP . . . . . . . . . . . . . 60.3 t0 -101.92 113.66 27.08 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.213 -178.787 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 81' ' ' VAL . . . . . . . . . . . . . 20.3 m -132.34 46.25 0.51 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.235 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.259 177.389 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 82' ' ' LYS . . . . . 0.416 ' O ' ' HB2' ' B' ' 83' ' ' HIS . 83.9 tttt -79.38 137.94 37.48 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.139 178.735 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 83' ' ' HIS . . . . . 0.416 ' HB2' ' O ' ' B' ' 82' ' ' LYS . 67.3 m-70 72.25 34.24 1.41 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.152 -176.072 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 84' ' ' PHE . . . . . 0.406 ' HB3' ' HB2' ' B' ' 89' ' ' LEU . 65.8 m-85 -122.88 145.59 48.32 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.298 172.737 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 85' ' ' SER . . . . . 0.413 ' O ' ' N ' ' B' ' 89' ' ' LEU . 74.2 m -109.82 151.07 42.14 Favored Pre-proline 0 C--N 1.328 -0.362 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.252 178.152 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 86' ' ' PRO . . . . . . . . . . . . . 72.1 Cg_exo -55.41 -26.2 52.19 Favored 'Trans proline' 0 N--CA 1.457 -0.622 0 C-N-CA 121.77 1.647 . . . . 0.0 111.197 179.158 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 87' ' ' GLU . . . . . . . . . . . . . 99.8 mt-10 -66.83 -26.51 66.96 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.251 -179.77 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 88' ' ' GLU . . . . . . . . . . . . . 80.7 mm-40 -121.84 -7.46 8.99 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.155 -179.019 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 89' ' ' LEU . . . . . 0.413 ' N ' ' O ' ' B' ' 85' ' ' SER . 64.3 tp -108.13 116.99 32.99 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.147 -175.859 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 90' ' ' LYS . . . . . . . . . . . . . 98.9 mttt -122.54 145.97 47.84 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.22 -175.007 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 91' ' ' VAL . . . . . . . . . . . . . 64.0 t -124.85 110.39 24.78 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.367 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.243 172.411 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 92' ' ' LYS . . . . . . . . . . . . . 87.1 tttt -125.73 147.3 49.42 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.139 -171.524 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 93' ' ' VAL . . . . . 0.41 ' HA ' ' HA ' ' B' ' 98' ' ' ILE . 61.5 t -111.78 116.35 52.3 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.187 166.069 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 94' ' ' LEU . . . . . 0.441 ' HB3' HG23 ' B' ' 97' ' ' VAL . 68.9 tp -105.97 68.63 0.78 Allowed 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.152 -172.352 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 95' ' ' GLY . . . . . . . . . . . . . . . 79.34 -104.69 2.17 Favored Glycine 0 CA--C 1.523 0.542 0 N-CA-C 111.202 -0.759 . . . . 0.0 111.202 173.13 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 96' ' ' ASP . . . . . . . . . . . . . 89.1 m-20 -88.3 -6.04 58.0 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-O 120.757 0.313 . . . . 0.0 111.159 -178.36 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 97' ' ' VAL . . . . . 0.441 HG23 ' HB3' ' B' ' 94' ' ' LEU . 27.7 m -123.13 164.96 19.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.303 -0.408 . . . . 0.0 111.182 178.771 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 98' ' ' ILE . . . . . 0.41 ' HA ' ' HA ' ' B' ' 93' ' ' VAL . 91.2 mt -113.84 96.41 4.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.176 175.499 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 99' ' ' GLU . . . . . . . . . . . . . 86.4 tt0 -83.49 90.0 7.15 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.181 -172.408 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 100' ' ' VAL . . . . . . . . . . . . . 92.7 t -89.0 120.35 37.53 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.31 170.977 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 101' ' ' HIS . . . . . 0.549 ' CD2' ' N ' ' B' ' 101' ' ' HIS . 0.1 OUTLIER -143.55 130.47 20.49 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.23 -165.393 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' B' B ' 102' ' ' GLY . . . . . . . . . . . . . . . -134.18 -173.17 13.07 Favored Glycine 0 CA--C 1.523 0.564 0 N-CA-C 111.259 -0.736 . . . . 0.0 111.259 -171.551 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 103' ' ' LYS . . . . . 0.404 ' HA ' ' O ' ' B' ' 116' ' ' ARG . 87.5 tttt -170.53 120.19 0.57 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.738 0.304 . . . . 0.0 111.185 171.996 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 104' ' ' HIS . . . . . . . . . . . . . 23.8 t-160 -119.61 111.61 18.28 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.253 170.783 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 105' ' ' GLU . . . . . . . . . . . . . 99.8 mt-10 -81.36 -58.89 2.84 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.298 -0.41 . . . . 0.0 111.211 -166.399 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 106' ' ' GLU . . . . . 0.434 ' HA ' ' CD1' ' B' ' 113' ' ' PHE . 98.1 mt-10 -90.17 86.93 6.67 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.159 176.962 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 107' ' ' ARG . . . . . 0.508 ' HB3' HG13 ' B' ' 114' ' ' ILE . 59.7 ttt85 -122.75 85.21 2.38 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.138 -174.42 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 108' ' ' GLN . . . . . . . . . . . . . 68.8 tp60 -44.47 123.36 3.53 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.216 177.579 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 109' ' ' ASP . . . . . . . . . . . . . 9.6 t0 -133.85 -157.89 0.84 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.151 -177.595 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 110' ' ' GLU . . . . . . . . . . . . . 92.2 mt-10 -67.73 -31.72 71.84 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.212 177.687 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 111' ' ' HIS . . . . . . . . . . . . . 68.0 m80 -119.87 87.15 2.69 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.219 179.29 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 112' ' ' GLY . . . . . . . . . . . . . . . 66.18 -133.47 33.72 Favored Glycine 0 CA--C 1.524 0.636 0 N-CA-C 111.09 -0.804 . . . . 0.0 111.09 -176.302 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 113' ' ' PHE . . . . . 0.434 ' CD1' ' HA ' ' B' ' 106' ' ' GLU . 23.0 p90 -118.95 148.66 42.71 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.742 0.305 . . . . 0.0 111.242 166.96 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 114' ' ' ILE . . . . . 0.508 HG13 ' HB3' ' B' ' 107' ' ' ARG . 45.7 pt -110.88 152.3 12.88 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.398 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.168 -176.324 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 115' ' ' SER . . . . . 0.42 ' HB3' ' HB2' ' A' ' 119' ' ' HIS . 40.8 t -123.09 95.27 4.54 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.075 -0.512 . . . . 0.0 111.052 175.388 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 116' ' ' ARG . . . . . 0.404 ' O ' ' HA ' ' B' ' 103' ' ' LYS . 97.0 mtt180 -107.47 117.74 34.89 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.227 -171.899 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 117' ' ' GLU . . . . . . . . . . . . . 88.8 tt0 -98.71 121.08 40.19 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.098 172.335 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 118' ' ' PHE . . . . . . . . . . . . . 91.9 m-85 -104.46 143.14 33.42 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.068 -0.515 . . . . 0.0 111.178 -166.055 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 119' ' ' HIS . . . . . 0.409 ' O ' ' HA ' ' A' ' 114' ' ' ILE . 49.1 m80 -133.87 156.27 48.38 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.185 155.707 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 120' ' ' ARG . . . . . 0.549 ' CG ' ' O ' ' B' ' 120' ' ' ARG . 13.3 ptp180 -155.56 104.37 2.36 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.328 168.06 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 121' ' ' LYS . . . . . . . . . . . . . 93.5 mttt -90.37 89.5 7.63 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.3 -179.318 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 122' ' ' TYR . . . . . . . . . . . . . 80.5 t80 -88.47 122.81 32.36 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.327 -174.755 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 123' ' ' ARG . . . . . . . . . . . . . 1.5 mpp_? -73.09 138.91 46.12 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.17 -170.521 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 124' ' ' ILE . . . . . . . . . . . . . 84.8 mt -91.52 115.36 64.33 Favored Pre-proline 0 C--N 1.328 -0.343 0 CA-C-N 116.275 -0.421 . . . . 0.0 111.168 -173.521 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 125' ' ' PRO . . . . . . . . . . . . . 51.8 Cg_exo -55.48 154.93 22.57 Favored 'Trans proline' 0 N--CA 1.459 -0.553 0 C-N-CA 121.747 1.631 . . . . 0.0 111.15 171.916 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 126' ' ' ALA . . . . . . . . . . . . . . . -64.86 -12.01 43.89 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.181 178.999 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 127' ' ' ASP . . . . . . . . . . . . . 78.8 m-20 -103.04 12.18 36.3 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.189 -179.336 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 128' ' ' VAL . . . . . 0.419 HG13 ' CZ ' ' B' ' 75' ' ' PHE . 54.7 t -122.02 138.57 51.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.241 -177.472 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 129' ' ' ASP . . . . . . . . . . . . . 65.1 t0 -132.04 115.31 15.31 Favored Pre-proline 0 C--N 1.327 -0.387 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.28 -175.713 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 130' ' ' PRO . . . . . . . . . . . . . 91.9 Cg_endo -81.28 5.21 6.41 Favored 'Trans proline' 0 N--CA 1.457 -0.643 0 C-N-CA 121.668 1.578 . . . . 0.0 111.171 -173.689 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 131' ' ' LEU . . . . . . . . . . . . . 94.0 mt -98.99 3.1 46.88 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.191 173.197 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 132' ' ' THR . . . . . . . . . . . . . 69.0 p -114.39 8.39 16.59 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.269 -179.553 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 133' ' ' ILE . . . . . . . . . . . . . 43.2 pt -101.63 152.98 5.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.141 -170.525 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 134' ' ' THR . . . . . . . . . . . . . 63.7 m -134.34 91.35 2.78 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.241 172.449 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 135' ' ' SER . . . . . . . . . . . . . 77.3 p -65.26 157.33 29.26 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.187 179.59 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 136' ' ' SER . . . . . . . . . . . . . 43.0 t -171.65 146.98 2.24 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.104 -176.805 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 137' ' ' LEU . . . . . . . . . . . . . 7.2 mp -103.62 134.17 47.41 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.175 178.955 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 138' ' ' SER . . . . . . . . . . . . . 53.1 p -81.32 176.58 9.61 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.275 -0.42 . . . . 0.0 111.204 178.586 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 139' ' ' SER . . . . . . . . . . . . . 87.3 p -68.41 -16.11 63.8 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.151 175.425 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 140' ' ' ASP . . . . . . . . . . . . . 85.3 m-20 -95.85 -1.52 49.32 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.282 177.889 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 141' ' ' GLY . . . . . . . . . . . . . . . 83.15 33.91 22.16 Favored Glycine 0 CA--C 1.523 0.577 0 N-CA-C 111.2 -0.76 . . . . 0.0 111.2 178.612 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 142' ' ' VAL . . . . . . . . . . . . . 99.9 t -99.8 116.15 42.42 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.237 0 CA-C-O 120.858 0.361 . . . . 0.0 111.146 178.791 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 143' ' ' LEU . . . . . . . . . . . . . 64.9 tp -78.93 121.71 25.23 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.127 176.902 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 144' ' ' THR . . . . . . . . . . . . . 85.7 m -119.57 96.05 5.04 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.235 -175.561 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 145' ' ' VAL . . . . . . . . . . . . . 64.6 t -91.15 118.5 36.54 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.271 174.174 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 146' ' ' ASP . . . . . . . . . . . . . 3.6 p30 -151.15 141.98 22.86 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.255 -171.072 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 147' ' ' GLY . . . . . . . . . . . . . . . -171.39 152.04 16.96 Favored Glycine 0 CA--C 1.523 0.558 0 N-CA-C 111.181 -0.767 . . . . 0.0 111.181 -176.436 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 148' ' ' PRO . . . . . . . . . . . . . 76.3 Cg_exo -54.57 151.86 29.39 Favored 'Trans proline' 0 N--CA 1.459 -0.551 0 C-N-CA 121.735 1.624 . . . . 0.0 111.178 175.937 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 149' ' ' ARG . . . . . . . . . . . . . 98.4 mtt180 . . . . . 0 C--N 1.328 -0.35 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.32 -179.583 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 85.6 tt0 . . . . . 0 C--O 1.231 0.111 0 CA-C-O 120.737 0.303 . . . . 0.0 111.206 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 68' ' ' MET . . . . . . . . . . . . . 27.0 ptm -153.95 159.4 41.68 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.102 178.968 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 79.1 ttt180 -127.75 82.66 2.1 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.177 -178.133 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 70' ' ' LEU . . . . . 0.406 HD12 ' O ' ' A' ' 74' ' ' ARG . 57.9 tp -100.67 112.1 24.45 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.264 173.544 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 91.2 mt-10 -114.56 -149.85 0.45 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.305 -178.883 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 98.5 mttt -73.01 -28.47 62.38 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.2 176.575 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 56.1 p-10 -151.89 33.79 0.54 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.155 179.532 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 74' ' ' ARG . . . . . 0.406 ' O ' HD12 ' A' ' 70' ' ' LEU . 91.3 mmt-85 -135.3 153.74 51.78 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.307 -0.406 . . . . 0.0 111.262 178.876 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 75' ' ' PHE . . . . . . . . . . . . . 57.6 t80 -163.88 119.69 1.63 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.307 -0.406 . . . . 0.0 111.275 175.473 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 40.4 t -146.29 143.65 29.3 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.267 -179.342 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 99.0 t -124.49 121.42 61.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.21 -175.137 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 57.0 t-20 -89.81 113.99 25.64 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.168 175.651 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 63.3 mt -113.2 146.36 39.43 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.246 -176.52 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 67.6 t0 -102.87 107.05 17.75 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.157 -172.178 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 30.4 m -147.55 34.3 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.273 176.012 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 98.7 mttt -65.4 -21.41 66.67 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.114 -168.776 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 73.8 m80 -94.75 0.29 54.84 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.309 -0.405 . . . . 0.0 111.187 -172.853 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 84' ' ' PHE . . . . . . . . . . . . . 13.1 m-85 -107.2 169.22 8.69 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.177 -169.675 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 72.6 m -104.74 157.45 34.14 Favored Pre-proline 0 C--N 1.33 -0.277 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.114 173.065 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 72.6 Cg_exo -54.09 -33.48 74.04 Favored 'Trans proline' 0 N--CA 1.457 -0.628 0 C-N-CA 121.666 1.578 . . . . 0.0 111.232 177.378 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 99.4 mt-10 -78.38 -21.81 48.83 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.207 179.089 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 95.2 mt-10 -85.14 -17.06 38.42 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.16 176.464 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 89' ' ' LEU . . . . . 0.486 ' HA ' HD12 ' A' ' 89' ' ' LEU . 0.0 OUTLIER -96.04 103.92 15.84 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.229 -0.442 . . . . 0.0 111.215 -176.868 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 99.2 mttt -95.19 69.36 3.16 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.222 172.765 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 75.5 t -73.53 109.1 5.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.244 -176.734 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 98.6 mttt -124.95 165.04 18.82 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.197 -170.572 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 33.8 m -127.13 154.49 37.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.236 168.977 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 94' ' ' LEU . . . . . 0.478 ' HB2' ' CG2' ' A' ' 97' ' ' VAL . 82.7 mt -127.85 67.1 1.34 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.169 177.999 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 92.36 -92.78 1.71 Allowed Glycine 0 CA--C 1.524 0.638 0 N-CA-C 111.232 -0.747 . . . . 0.0 111.232 178.097 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 46.3 p-10 -115.91 23.61 12.11 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.798 0.332 . . . . 0.0 111.229 177.615 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 97' ' ' VAL . . . . . 0.478 ' CG2' ' HB2' ' A' ' 94' ' ' LEU . 22.2 m -133.02 165.04 33.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.118 176.225 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 98' ' ' ILE . . . . . . . . . . . . . 64.5 mt -121.9 86.75 1.05 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.126 -174.896 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 39.7 tt0 -74.92 94.03 2.76 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.24 -179.114 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 100' ' ' VAL . . . . . 0.516 ' HB ' ' HB2' ' A' ' 120' ' ' ARG . 46.6 t -81.26 103.41 8.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.297 -0.411 . . . . 0.0 111.276 178.549 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 101' ' ' HIS . . . . . 0.477 ' O ' ' CD2' ' A' ' 101' ' ' HIS . 7.9 t-160 -102.83 64.58 0.87 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.108 -172.523 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . -76.27 153.41 43.04 Favored Glycine 0 CA--C 1.523 0.546 0 N-CA-C 111.166 -0.774 . . . . 0.0 111.166 175.928 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 103' ' ' LYS . . . . . 0.503 ' HA ' ' HA ' ' A' ' 117' ' ' GLU . 86.0 tttt -153.58 114.56 4.09 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.806 0.336 . . . . 0.0 111.156 -170.946 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 104' ' ' HIS . . . . . . . . . . . . . 13.9 m170 -81.71 155.56 25.47 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.293 157.42 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 88.6 tt0 -151.45 132.01 13.9 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.225 170.525 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 95.1 mt-10 58.75 54.63 5.13 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.123 -175.551 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 23.6 ttt180 -114.38 105.98 13.77 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.99 0.424 . . . . 0.0 111.133 -174.913 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 108' ' ' GLN . . . . . . . . . . . . . 65.4 tp60 -66.45 106.73 1.83 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.178 178.467 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 51.6 p-10 -116.54 -147.73 0.42 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.196 176.371 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 15.8 pm0 -66.47 -27.76 68.05 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.338 -177.695 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 111' ' ' HIS . . . . . . . . . . . . . 95.6 m-70 -96.97 -52.19 3.96 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.18 -177.399 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 173.56 -159.01 28.67 Favored Glycine 0 CA--C 1.523 0.573 0 N-CA-C 111.194 -0.763 . . . . 0.0 111.194 -166.711 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 113' ' ' PHE . . . . . 0.442 ' HB2' ' HB3' ' B' ' 121' ' ' LYS . 65.8 m-85 -84.93 96.66 9.42 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.732 0.301 . . . . 0.0 111.244 177.756 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 114' ' ' ILE . . . . . 0.432 HG22 ' HA ' ' B' ' 120' ' ' ARG . 26.7 pt -89.0 164.61 2.18 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.362 0 CA-C-N 116.297 -0.41 . . . . 0.0 111.135 -172.666 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 31.1 t -142.25 92.12 2.4 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.066 -0.516 . . . . 0.0 111.208 164.788 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 116' ' ' ARG . . . . . 0.718 ' O ' ' HG3' ' A' ' 116' ' ' ARG . 32.1 ptt180 -108.72 75.77 0.98 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.185 -164.649 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 117' ' ' GLU . . . . . 0.503 ' HA ' ' HA ' ' A' ' 103' ' ' LYS . 14.0 pt-20 -72.54 148.29 45.13 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.196 175.553 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 118' ' ' PHE . . . . . 0.421 ' HB3' ' HG3' ' A' ' 120' ' ' ARG . 52.5 m-85 -117.08 169.29 9.55 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.238 -174.6 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 119' ' ' HIS . . . . . . . . . . . . . 78.3 m80 -143.46 60.9 1.39 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.225 163.063 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 120' ' ' ARG . . . . . 0.516 ' HB2' ' HB ' ' A' ' 100' ' ' VAL . 96.6 mtt180 -75.93 85.2 2.86 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.202 -165.211 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 121' ' ' LYS . . . . . 0.435 ' HB3' ' HB2' ' B' ' 113' ' ' PHE . 41.3 ttmt -67.12 76.87 0.14 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.169 -177.259 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 122' ' ' TYR . . . . . 0.469 ' CD1' ' C ' ' A' ' 122' ' ' TYR . 1.8 t80 -80.18 104.98 11.11 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.273 -177.848 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 123' ' ' ARG . . . . . . . . . . . . . 57.7 mtm180 -86.9 139.36 30.71 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.216 -158.362 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 124' ' ' ILE . . . . . . . . . . . . . 78.3 mt -90.8 131.03 38.72 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.186 -173.497 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 125' ' ' PRO . . . . . . . . . . . . . 84.1 Cg_exo -49.9 144.48 21.08 Favored 'Trans proline' 0 N--CA 1.458 -0.596 0 C-N-CA 121.709 1.606 . . . . 0.0 111.193 175.508 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . -64.35 -11.63 34.4 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.139 -179.578 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 127' ' ' ASP . . . . . . . . . . . . . 82.4 m-20 -99.4 11.12 40.0 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.303 -0.408 . . . . 0.0 111.234 -179.774 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 128' ' ' VAL . . . . . 0.417 ' HA ' ' HA ' ' A' ' 149' ' ' ARG . 73.9 t -125.37 136.42 60.89 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.246 -178.964 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 59.9 t0 -86.92 117.24 68.36 Favored Pre-proline 0 C--N 1.329 -0.326 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.216 -174.344 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 130' ' ' PRO . . . . . . . . . . . . . 72.2 Cg_endo -76.78 -7.87 17.73 Favored 'Trans proline' 0 N--CA 1.458 -0.563 0 C-N-CA 121.65 1.567 . . . . 0.0 111.238 -173.522 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 131' ' ' LEU . . . . . . . . . . . . . 92.9 mt -99.43 6.27 46.05 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.127 -177.77 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 132' ' ' THR . . . . . . . . . . . . . 66.8 p -123.38 13.05 9.49 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.228 -178.995 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 133' ' ' ILE . . . . . . . . . . . . . 37.7 pt -97.1 146.23 7.84 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.137 -179.572 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 134' ' ' THR . . . . . . . . . . . . . 89.6 m -139.38 97.39 3.27 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.138 -176.838 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 135' ' ' SER . . . . . 0.458 ' HA ' ' HA ' ' A' ' 145' ' ' VAL . 66.3 p -66.56 156.08 35.97 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.273 173.359 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 136' ' ' SER . . . . . . . . . . . . . 97.5 p -164.24 157.9 18.35 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.18 -179.853 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 137' ' ' LEU . . . . . . . . . . . . . 94.2 mt -114.77 152.78 31.52 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.075 -177.411 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 138' ' ' SER . . . . . . . . . . . . . 28.4 p -108.05 -179.52 3.92 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.239 175.813 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 139' ' ' SER . . . . . . . . . . . . . 86.7 p -69.25 -17.22 63.73 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.287 -0.415 . . . . 0.0 111.121 176.036 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 140' ' ' ASP . . . . . . . . . . . . . 85.4 m-20 -97.71 -6.24 33.42 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.053 178.823 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 141' ' ' GLY . . . . . . . . . . . . . . . 88.85 25.33 29.91 Favored Glycine 0 CA--C 1.524 0.619 0 N-CA-C 111.294 -0.722 . . . . 0.0 111.294 -179.761 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 142' ' ' VAL . . . . . . . . . . . . . 98.4 t -81.03 104.17 9.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-O 120.885 0.374 . . . . 0.0 111.147 179.329 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 143' ' ' LEU . . . . . . . . . . . . . 60.4 tp -87.68 120.96 29.52 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.244 178.514 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 144' ' ' THR . . . . . . . . . . . . . 91.0 m -133.52 117.63 17.36 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.299 179.067 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 145' ' ' VAL . . . . . 0.458 ' HA ' ' HA ' ' A' ' 135' ' ' SER . 7.4 p -110.68 135.15 50.67 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.115 174.889 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 146' ' ' ASP . . . . . 0.51 ' OD1' ' O ' ' A' ' 146' ' ' ASP . 20.2 p30 -162.08 143.21 10.67 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.212 -164.977 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 147' ' ' GLY . . . . . 0.434 ' HA2' ' HD3' ' A' ' 148' ' ' PRO . . . -166.36 149.04 14.44 Favored Glycine 0 CA--C 1.522 0.518 0 N-CA-C 111.256 -0.738 . . . . 0.0 111.256 -175.617 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 148' ' ' PRO . . . . . 0.434 ' HD3' ' HA2' ' A' ' 147' ' ' GLY . 88.8 Cg_exo -56.68 147.07 73.32 Favored 'Trans proline' 0 N--CA 1.458 -0.567 0 C-N-CA 121.714 1.609 . . . . 0.0 111.247 -177.416 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 149' ' ' ARG . . . . . 0.417 ' HA ' ' HA ' ' A' ' 128' ' ' VAL . 67.7 mtp180 . . . . . 0 C--N 1.33 -0.263 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.225 173.338 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 67' ' ' GLU . . . . . . . . . . . . . 85.6 tt0 . . . . . 0 N--CA 1.456 -0.129 0 CA-C-O 120.753 0.311 . . . . 0.0 111.202 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' B' B ' 68' ' ' MET . . . . . . . . . . . . . 27.0 ptm -153.81 159.49 41.88 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.088 178.958 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 69' ' ' ARG . . . . . . . . . . . . . 79.1 ttt180 -127.78 82.67 2.1 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.112 -178.173 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 70' ' ' LEU . . . . . 0.41 HD12 ' O ' ' B' ' 74' ' ' ARG . 57.5 tp -100.76 112.27 24.64 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.182 173.565 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 71' ' ' GLU . . . . . . . . . . . . . 91.4 mt-10 -114.7 -149.79 0.45 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.162 -178.818 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 72' ' ' LYS . . . . . . . . . . . . . 98.5 mttt -73.08 -28.47 62.31 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.215 176.654 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 73' ' ' ASP . . . . . . . . . . . . . 55.9 p-10 -151.89 33.76 0.54 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.067 -0.515 . . . . 0.0 111.105 179.546 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 74' ' ' ARG . . . . . 0.41 ' O ' HD12 ' B' ' 70' ' ' LEU . 91.3 mmt-85 -135.19 153.76 51.84 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.314 -0.403 . . . . 0.0 111.278 178.735 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 75' ' ' PHE . . . . . 0.404 ' HB3' ' O ' ' B' ' 147' ' ' GLY . 58.2 t80 -163.79 119.82 1.66 Allowed 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.288 175.411 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 76' ' ' SER . . . . . . . . . . . . . 40.4 t -146.37 143.72 29.26 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.119 -179.266 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 77' ' ' VAL . . . . . . . . . . . . . 99.1 t -124.68 121.27 60.96 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.368 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.229 -175.196 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 78' ' ' ASN . . . . . . . . . . . . . 56.8 t-20 -89.64 114.1 25.66 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.086 -0.506 . . . . 0.0 111.198 175.601 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 79' ' ' LEU . . . . . . . . . . . . . 64.0 mt -113.28 146.35 39.52 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.162 -176.523 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 80' ' ' ASP . . . . . . . . . . . . . 67.6 t0 -102.86 107.04 17.74 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.118 -172.161 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 81' ' ' VAL . . . . . . . . . . . . . 30.2 m -147.55 34.17 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.257 176.061 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 82' ' ' LYS . . . . . . . . . . . . . 98.8 mttt -65.23 -21.45 66.75 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.307 -168.837 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 83' ' ' HIS . . . . . . . . . . . . . 73.8 m80 -94.68 0.17 54.84 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.209 -172.839 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 84' ' ' PHE . . . . . . . . . . . . . 13.1 m-85 -107.14 169.22 8.69 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.21 -169.645 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 85' ' ' SER . . . . . . . . . . . . . 73.0 m -104.68 157.35 34.32 Favored Pre-proline 0 C--N 1.328 -0.368 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.231 172.991 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 86' ' ' PRO . . . . . . . . . . . . . 73.6 Cg_exo -54.14 -33.34 73.98 Favored 'Trans proline' 0 N--CA 1.458 -0.588 0 C-N-CA 121.611 1.541 . . . . 0.0 111.24 177.408 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 87' ' ' GLU . . . . . . . . . . . . . 99.4 mt-10 -78.39 -21.86 48.72 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.202 179.012 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 88' ' ' GLU . . . . . . . . . . . . . 95.2 mt-10 -85.1 -17.06 38.49 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.202 176.429 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 89' ' ' LEU . . . . . 0.452 HD12 ' HA ' ' B' ' 89' ' ' LEU . 0.0 OUTLIER -96.07 103.96 15.88 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.142 -176.82 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' B' B ' 90' ' ' LYS . . . . . . . . . . . . . 99.3 mttt -95.29 69.47 3.13 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.285 172.712 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 91' ' ' VAL . . . . . . . . . . . . . 75.2 t -73.47 109.09 5.41 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.367 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.098 -176.604 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 92' ' ' LYS . . . . . . . . . . . . . 98.6 mttt -125.05 165.12 18.75 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.172 -170.712 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 93' ' ' VAL . . . . . . . . . . . . . 33.9 m -127.23 154.53 37.6 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.305 168.901 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 94' ' ' LEU . . . . . 0.468 ' HB2' ' CG2' ' B' ' 97' ' ' VAL . 83.0 mt -127.79 67.26 1.33 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.181 178.045 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 95' ' ' GLY . . . . . . . . . . . . . . . 92.27 -92.79 1.72 Allowed Glycine 0 CA--C 1.522 0.525 0 N-CA-C 111.207 -0.757 . . . . 0.0 111.207 178.078 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 96' ' ' ASP . . . . . . . . . . . . . 46.3 p-10 -115.94 23.61 12.1 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.814 0.34 . . . . 0.0 111.189 177.714 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 97' ' ' VAL . . . . . 0.468 ' CG2' ' HB2' ' B' ' 94' ' ' LEU . 22.2 m -133.11 165.03 33.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.154 176.139 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 98' ' ' ILE . . . . . . . . . . . . . 64.8 mt -121.91 86.88 1.06 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.181 -174.89 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 99' ' ' GLU . . . . . . . . . . . . . 39.7 tt0 -75.02 94.06 2.81 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.245 -179.053 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 100' ' ' VAL . . . . . 0.538 ' HB ' ' HB2' ' B' ' 120' ' ' ARG . 46.8 t -81.31 103.45 8.4 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.396 0 CA-C-N 116.266 -0.424 . . . . 0.0 111.102 178.703 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 101' ' ' HIS . . . . . 0.47 ' O ' ' CD2' ' B' ' 101' ' ' HIS . 7.9 t-160 -102.86 64.6 0.87 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.178 -172.705 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 102' ' ' GLY . . . . . . . . . . . . . . . -76.27 153.39 43.0 Favored Glycine 0 CA--C 1.523 0.564 0 N-CA-C 111.176 -0.769 . . . . 0.0 111.176 175.84 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 103' ' ' LYS . . . . . 0.484 ' HA ' ' HA ' ' B' ' 117' ' ' GLU . 85.9 tttt -153.56 114.59 4.1 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.938 0.399 . . . . 0.0 111.144 -170.915 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 104' ' ' HIS . . . . . . . . . . . . . 13.7 m170 -81.73 155.62 25.42 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.16 157.507 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 105' ' ' GLU . . . . . . . . . . . . . 88.6 tt0 -151.44 132.08 13.96 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.245 170.434 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 106' ' ' GLU . . . . . . . . . . . . . 95.1 mt-10 58.73 54.54 5.21 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.117 -175.587 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 107' ' ' ARG . . . . . . . . . . . . . 23.5 ttt180 -114.13 105.79 13.61 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.255 -0.429 . . . . 0.0 111.222 -174.98 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 108' ' ' GLN . . . . . . . . . . . . . 65.6 tp60 -66.32 106.84 1.81 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.297 178.294 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 109' ' ' ASP . . . . . . . . . . . . . 51.6 p-10 -116.51 -147.77 0.42 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.162 176.419 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 110' ' ' GLU . . . . . . . . . . . . . 15.6 pm0 -66.64 -27.79 67.96 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.069 -0.514 . . . . 0.0 111.173 -177.572 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 111' ' ' HIS . . . . . . . . . . . . . 95.4 m-70 -96.89 -52.22 3.97 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.205 -177.393 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 112' ' ' GLY . . . . . . . . . . . . . . . 173.55 -159.09 28.8 Favored Glycine 0 CA--C 1.524 0.627 0 N-CA-C 111.209 -0.756 . . . . 0.0 111.209 -166.768 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 113' ' ' PHE . . . . . 0.435 ' HB2' ' HB3' ' A' ' 121' ' ' LYS . 66.2 m-85 -84.85 96.72 9.4 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.775 0.322 . . . . 0.0 111.324 177.725 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 114' ' ' ILE . . . . . 0.432 HG22 ' HA ' ' A' ' 120' ' ' ARG . 26.3 pt -88.97 164.62 2.18 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.366 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.174 -172.635 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 115' ' ' SER . . . . . . . . . . . . . 30.9 t -142.29 92.02 2.39 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.159 164.876 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 116' ' ' ARG . . . . . 0.714 ' O ' ' HG3' ' B' ' 116' ' ' ARG . 32.0 ptt180 -108.64 75.72 0.98 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.103 -0.499 . . . . 0.0 111.247 -164.689 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 117' ' ' GLU . . . . . 0.484 ' HA ' ' HA ' ' B' ' 103' ' ' LYS . 13.9 pt-20 -72.66 148.44 44.78 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.198 175.621 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 118' ' ' PHE . . . . . 0.417 ' HB3' ' HG3' ' B' ' 120' ' ' ARG . 52.4 m-85 -117.21 169.24 9.62 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.141 -174.501 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 119' ' ' HIS . . . . . . . . . . . . . 78.1 m80 -143.35 60.87 1.4 Allowed 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.248 163.03 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 120' ' ' ARG . . . . . 0.538 ' HB2' ' HB ' ' B' ' 100' ' ' VAL . 96.7 mtt180 -75.9 85.37 2.84 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.142 -165.24 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 121' ' ' LYS . . . . . 0.442 ' HB3' ' HB2' ' A' ' 113' ' ' PHE . 41.3 ttmt -67.26 76.81 0.15 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.306 -177.328 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 122' ' ' TYR . . . . . 0.461 ' CD1' ' C ' ' B' ' 122' ' ' TYR . 1.8 t80 -80.02 104.91 10.91 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.184 -177.77 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 123' ' ' ARG . . . . . . . . . . . . . 57.8 mtm180 -86.95 139.24 30.8 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.203 -158.478 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 124' ' ' ILE . . . . . . . . . . . . . 78.4 mt -90.68 131.08 38.81 Favored Pre-proline 0 C--N 1.33 -0.249 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.263 -173.526 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 125' ' ' PRO . . . . . . . . . . . . . 83.0 Cg_exo -50.04 144.6 21.59 Favored 'Trans proline' 0 N--CA 1.458 -0.612 0 C-N-CA 121.62 1.546 . . . . 0.0 111.223 175.553 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 126' ' ' ALA . . . . . . . . . . . . . . . -64.39 -11.59 34.41 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.197 -179.51 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 127' ' ' ASP . . . . . . . . . . . . . 82.3 m-20 -99.37 11.13 39.98 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.234 -179.787 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 128' ' ' VAL . . . . . 0.417 HG22 ' HG2' ' B' ' 149' ' ' ARG . 74.9 t -125.33 136.39 60.99 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.38 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.267 -178.875 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 129' ' ' ASP . . . . . . . . . . . . . 60.2 t0 -87.1 117.38 68.54 Favored Pre-proline 0 C--N 1.328 -0.35 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.073 -174.285 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 130' ' ' PRO . . . . . . . . . . . . . 73.4 Cg_endo -76.75 -8.0 17.82 Favored 'Trans proline' 0 N--CA 1.458 -0.604 0 C-N-CA 121.649 1.566 . . . . 0.0 111.227 -173.561 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 131' ' ' LEU . . . . . . . . . . . . . 92.6 mt -99.2 6.0 46.52 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.171 -177.797 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 132' ' ' THR . . . . . . . . . . . . . 67.1 p -123.19 12.99 9.61 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.339 -0.392 . . . . 0.0 111.183 -178.883 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 133' ' ' ILE . . . . . . . . . . . . . 37.5 pt -97.16 146.14 8.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.151 -179.444 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 134' ' ' THR . . . . . . . . . . . . . 87.2 m -139.25 97.25 3.25 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.22 -176.729 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 135' ' ' SER . . . . . 0.463 ' HA ' ' HA ' ' B' ' 145' ' ' VAL . 67.6 p -66.58 156.08 36.02 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.232 173.478 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 136' ' ' SER . . . . . . . . . . . . . 97.6 p -164.2 157.86 18.42 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.124 -179.758 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 137' ' ' LEU . . . . . . . . . . . . . 94.1 mt -114.73 152.75 31.5 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.148 -177.486 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 138' ' ' SER . . . . . . . . . . . . . 28.9 p -108.01 -179.37 3.88 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.22 175.826 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 139' ' ' SER . . . . . . . . . . . . . 86.5 p -69.27 -17.42 63.75 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.14 176.017 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 140' ' ' ASP . . . . . . . . . . . . . 85.3 m-20 -97.51 -6.42 33.72 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.138 178.877 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 141' ' ' GLY . . . . . . . . . . . . . . . 88.89 25.4 29.64 Favored Glycine 0 CA--C 1.524 0.634 0 N-CA-C 111.264 -0.734 . . . . 0.0 111.264 -179.721 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 142' ' ' VAL . . . . . . . . . . . . . 98.4 t -80.94 103.99 8.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-O 120.886 0.374 . . . . 0.0 111.185 179.26 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 143' ' ' LEU . . . . . . . . . . . . . 59.7 tp -87.57 121.16 29.65 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.176 178.55 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 144' ' ' THR . . . . . . . . . . . . . 91.3 m -133.68 117.45 17.0 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.183 179.254 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 145' ' ' VAL . . . . . 0.463 ' HA ' ' HA ' ' B' ' 135' ' ' SER . 7.5 p -110.72 135.15 50.7 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.134 174.853 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 146' ' ' ASP . . . . . 0.515 ' OD1' ' O ' ' B' ' 146' ' ' ASP . 20.2 p30 -162.07 143.21 10.68 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.181 -164.897 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 147' ' ' GLY . . . . . 0.407 ' HA2' ' HD3' ' B' ' 148' ' ' PRO . . . -166.35 149.01 14.37 Favored Glycine 0 CA--C 1.525 0.661 0 N-CA-C 111.158 -0.777 . . . . 0.0 111.158 -175.57 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 148' ' ' PRO . . . . . 0.407 ' HD3' ' HA2' ' B' ' 147' ' ' GLY . 87.0 Cg_exo -56.57 147.22 71.2 Favored 'Trans proline' 0 N--CA 1.459 -0.519 0 C-N-CA 121.59 1.527 . . . . 0.0 111.291 -177.536 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 149' ' ' ARG . . . . . 0.417 ' HG2' HG22 ' B' ' 128' ' ' VAL . 67.6 mtp180 . . . . . 0 C--N 1.327 -0.378 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.24 173.264 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . 0.559 ' N ' ' HH ' ' A' ' 122' ' ' TYR . 79.9 mm-40 . . . . . 0 C--O 1.232 0.155 0 CA-C-O 120.762 0.315 . . . . 0.0 111.106 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 68' ' ' MET . . . . . . . . . . . . . 59.9 ttm -72.89 123.43 23.4 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.318 -0.401 . . . . 0.0 111.236 177.609 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 78.1 ttt180 -121.9 115.08 21.94 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.245 174.996 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 62.7 tp -78.13 105.68 9.51 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.178 178.829 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 71' ' ' GLU . . . . . 0.532 ' O ' ' C ' ' A' ' 72' ' ' LYS . 80.9 mm-40 -70.6 -177.55 1.55 Allowed 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.266 167.023 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 72' ' ' LYS . . . . . 0.532 ' C ' ' O ' ' A' ' 71' ' ' GLU . 88.0 tttt -27.26 -61.66 0.09 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.302 -0.408 . . . . 0.0 111.15 -176.456 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 58.1 p-10 -144.55 44.59 1.4 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.276 -177.595 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 74' ' ' ARG . . . . . 0.416 ' O ' ' N ' ' A' ' 71' ' ' GLU . 20.6 ptp180 -178.57 144.27 0.28 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.158 -178.09 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 75' ' ' PHE . . . . . 0.437 ' CD1' ' C ' ' A' ' 75' ' ' PHE . 7.4 p90 -108.36 155.47 20.5 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.292 -0.413 . . . . 0.0 111.191 -173.016 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 38.1 t -138.2 125.99 22.4 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.197 174.076 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 64.1 t -98.87 109.74 24.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.212 -174.377 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 62.2 t-20 -84.62 85.63 7.4 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.193 -178.809 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 79' ' ' LEU . . . . . 0.408 HD12 ' HG ' ' A' ' 143' ' ' LEU . 74.5 mt -77.83 135.71 37.98 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.257 -172.985 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 66.1 t0 -91.22 117.92 30.03 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.19 -177.938 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 85.5 t -107.33 114.57 46.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.061 -0.518 . . . . 0.0 111.233 176.026 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 88.1 tttt -106.58 93.77 4.77 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.218 -173.738 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 79.8 m-70 61.84 49.93 4.53 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.218 175.035 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 84' ' ' PHE . . . . . 0.434 ' HA ' ' HB2' ' A' ' 104' ' ' HIS . 91.5 m-85 -119.93 149.43 42.13 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.314 172.37 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 85' ' ' SER . . . . . 0.431 ' O ' ' HG ' ' A' ' 89' ' ' LEU . 67.8 m -91.86 137.53 25.32 Favored Pre-proline 0 C--N 1.328 -0.348 0 CA-C-N 116.33 -0.395 . . . . 0.0 111.144 -178.862 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 55.7 Cg_endo -67.9 -15.57 44.0 Favored 'Trans proline' 0 N--CA 1.457 -0.64 0 C-N-CA 121.641 1.561 . . . . 0.0 111.252 179.74 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 99.0 mt-10 -78.43 -15.25 58.86 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.234 172.338 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 73.0 mt-10 -120.58 -4.58 9.79 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.214 -179.119 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 89' ' ' LEU . . . . . 0.431 ' HG ' ' O ' ' A' ' 85' ' ' SER . 91.5 mt -82.36 140.22 33.64 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.14 170.283 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 97.8 mttt -134.62 64.88 1.58 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.125 -0.488 . . . . 0.0 111.125 -179.261 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 13.3 p -60.27 135.35 25.03 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.286 -0.415 . . . . 0.0 111.192 178.411 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 92' ' ' LYS . . . . . 0.412 ' O ' ' N ' ' A' ' 99' ' ' GLU . 86.8 tttt -153.68 156.73 38.4 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.235 -173.013 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 33.7 m -124.42 160.72 28.65 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.214 167.608 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 25.2 tp -144.93 70.67 1.28 Allowed 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.191 177.925 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 82.08 -103.14 2.34 Favored Glycine 0 CA--C 1.523 0.571 0 N-CA-C 111.216 -0.753 . . . . 0.0 111.216 179.714 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 51.2 p-10 -103.44 21.3 16.26 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.849 0.357 . . . . 0.0 111.236 -177.385 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 97' ' ' VAL . . . . . 0.467 ' HA ' ' HA ' ' A' ' 123' ' ' ARG . 33.9 m -131.22 162.32 39.48 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.215 171.748 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 98' ' ' ILE . . . . . . . . . . . . . 63.4 mt -118.08 94.5 3.11 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.38 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.236 172.842 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 99' ' ' GLU . . . . . 0.412 ' N ' ' O ' ' A' ' 92' ' ' LYS . 57.2 mt-10 -72.45 78.81 1.04 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.361 -0.381 . . . . 0.0 111.208 -176.052 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 100' ' ' VAL . . . . . 0.485 ' HB ' ' HB2' ' A' ' 120' ' ' ARG . 47.8 t -76.77 77.92 0.62 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.167 -178.22 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 101' ' ' HIS . . . . . . . . . . . . . 63.5 t-80 -81.59 151.11 27.83 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.058 176.085 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . -179.15 161.05 26.95 Favored Glycine 0 CA--C 1.521 0.461 0 N-CA-C 111.217 -0.753 . . . . 0.0 111.217 177.158 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 103' ' ' LYS . . . . . 0.456 ' HA ' ' O ' ' A' ' 116' ' ' ARG . 64.2 pttt -156.2 151.87 27.14 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-O 120.778 0.323 . . . . 0.0 111.172 176.451 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 104' ' ' HIS . . . . . 0.434 ' HB2' ' HA ' ' A' ' 84' ' ' PHE . 27.0 t-80 -129.59 115.25 17.12 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.284 -0.416 . . . . 0.0 111.19 161.837 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 105' ' ' GLU . . . . . 0.566 ' O ' ' C ' ' A' ' 106' ' ' GLU . 98.2 mt-10 -66.43 -175.52 0.37 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.254 -177.516 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 106' ' ' GLU . . . . . 0.566 ' C ' ' O ' ' A' ' 105' ' ' GLU . 99.3 mt-10 -25.64 116.44 0.06 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.266 -0.425 . . . . 0.0 111.152 -170.964 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 54.1 ttp180 -134.9 74.77 1.54 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.113 -161.574 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 108' ' ' GLN . . . . . . . . . . . . . 73.6 tp60 -45.48 109.44 0.17 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.154 178.28 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 14.3 t0 -164.15 -136.73 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.193 -172.722 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 99.7 mt-10 -46.22 -64.46 0.75 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.252 -178.306 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 111' ' ' HIS . . . . . . . . . . . . . 69.8 m80 -111.43 79.8 1.25 Allowed 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.103 -175.966 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 112' ' ' GLY . . . . . 0.409 ' HA3' ' HA ' ' B' ' 122' ' ' TYR . . . 55.34 -134.1 48.89 Favored Glycine 0 CA--C 1.522 0.529 0 N-CA-C 111.209 -0.757 . . . . 0.0 111.209 -178.483 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 113' ' ' PHE . . . . . 0.486 ' O ' ' N ' ' B' ' 121' ' ' LYS . 97.5 m-85 -89.17 130.07 35.66 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.78 0.324 . . . . 0.0 111.223 172.36 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 114' ' ' ILE . . . . . . . . . . . . . 5.1 mp -118.57 99.24 7.57 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 CA-C-N 116.294 -0.412 . . . . 0.0 111.105 -178.532 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 115' ' ' SER . . . . . 0.426 ' HB3' ' HB3' ' B' ' 119' ' ' HIS . 46.3 t -92.98 94.2 8.77 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.295 174.961 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 116' ' ' ARG . . . . . 0.49 ' HA ' ' HA ' ' B' ' 118' ' ' PHE . 42.4 ttm180 -121.48 104.58 9.77 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.154 -162.724 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 85.9 tt0 -101.74 121.17 41.55 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.166 175.378 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 118' ' ' PHE . . . . . 0.48 ' HA ' ' HA ' ' B' ' 116' ' ' ARG . 39.5 p90 -124.73 165.95 17.04 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.345 -171.821 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 119' ' ' HIS . . . . . 0.432 ' HB3' ' HB3' ' B' ' 115' ' ' SER . 19.1 t-160 -148.12 81.57 1.48 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.183 -179.904 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 120' ' ' ARG . . . . . 0.485 ' HB2' ' HB ' ' A' ' 100' ' ' VAL . 87.5 mtm180 -86.04 82.1 8.23 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.175 -173.82 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 121' ' ' LYS . . . . . 0.477 ' N ' ' O ' ' B' ' 113' ' ' PHE . 41.7 ttmt -68.59 78.93 0.28 Allowed 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.227 -179.038 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 122' ' ' TYR . . . . . 0.559 ' HH ' ' N ' ' A' ' 67' ' ' GLU . 3.4 t80 -72.55 110.18 6.74 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.291 -176.381 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 123' ' ' ARG . . . . . 0.467 ' HA ' ' HA ' ' A' ' 97' ' ' VAL . 49.8 ttt180 -94.08 143.54 26.27 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.116 -159.341 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 124' ' ' ILE . . . . . 0.411 HG21 ' HB ' ' A' ' 128' ' ' VAL . 13.2 mt -109.95 136.56 20.4 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.194 -176.493 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 125' ' ' PRO . . . . . . . . . . . . . 72.1 Cg_exo -46.24 153.32 1.09 Allowed 'Trans proline' 0 N--CA 1.458 -0.574 0 C-N-CA 121.665 1.577 . . . . 0.0 111.199 165.704 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . -77.41 7.64 5.14 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.106 -167.22 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 127' ' ' ASP . . . . . . . . . . . . . 95.2 m-20 -84.02 -8.23 59.19 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.21 -179.374 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 128' ' ' VAL . . . . . 0.411 ' HB ' HG21 ' A' ' 124' ' ' ILE . 10.6 p -78.71 150.2 5.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.207 -171.462 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 64.7 t0 -101.56 109.84 60.23 Favored Pre-proline 0 C--N 1.327 -0.396 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.194 167.464 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 130' ' ' PRO . . . . . . . . . . . . . 94.2 Cg_exo -55.3 -31.52 77.18 Favored 'Trans proline' 0 N--CA 1.458 -0.608 0 C-N-CA 121.708 1.605 . . . . 0.0 111.242 -173.351 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 131' ' ' LEU . . . . . . . . . . . . . 96.7 mt -82.78 -2.84 55.61 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.169 -169.38 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 132' ' ' THR . . . . . . . . . . . . . 70.9 p -112.85 10.83 19.13 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.269 -179.079 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 133' ' ' ILE . . . . . . . . . . . . . 94.2 mt -90.51 125.27 43.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.224 179.152 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 134' ' ' THR . . . . . . . . . . . . . 92.7 m -125.19 124.85 42.63 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.264 -0.425 . . . . 0.0 111.312 178.538 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 135' ' ' SER . . . . . . . . . . . . . 85.0 p -95.11 163.04 13.46 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.31 -0.404 . . . . 0.0 111.166 178.512 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 136' ' ' SER . . . . . . . . . . . . . 44.5 t -153.61 114.61 4.1 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.152 -0.477 . . . . 0.0 111.202 175.664 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 137' ' ' LEU . . . . . . . . . . . . . 50.1 tp -101.69 110.75 22.8 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.249 -175.671 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 138' ' ' SER . . . . . . . . . . . . . 33.3 t -82.74 143.05 31.15 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.267 171.136 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 139' ' ' SER . . . . . . . . . . . . . 88.5 p -72.46 -10.92 60.39 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.212 179.007 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 140' ' ' ASP . . . . . . . . . . . . . 94.0 m-20 -81.62 -18.23 45.42 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.192 177.971 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 141' ' ' GLY . . . . . . . . . . . . . . . 112.77 11.63 14.14 Favored Glycine 0 CA--C 1.524 0.602 0 N-CA-C 111.326 -0.71 . . . . 0.0 111.326 179.338 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 142' ' ' VAL . . . . . . . . . . . . . 48.9 t -94.76 79.56 1.2 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.241 0 CA-C-O 120.767 0.318 . . . . 0.0 111.259 176.844 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 143' ' ' LEU . . . . . 0.408 ' HG ' HD12 ' A' ' 79' ' ' LEU . 60.0 tp -88.63 124.77 34.39 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.147 176.313 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 144' ' ' THR . . . . . . . . . . . . . 91.5 m -127.37 124.09 37.78 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.176 -177.788 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 145' ' ' VAL . . . . . . . . . . . . . 60.2 t -118.6 118.82 59.2 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.229 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.104 174.728 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 146' ' ' ASP . . . . . 0.434 ' C ' ' OD1' ' A' ' 146' ' ' ASP . 20.7 p30 -134.86 160.89 36.8 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.235 -170.259 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 147' ' ' GLY . . . . . 0.437 ' HA2' ' HD3' ' A' ' 148' ' ' PRO . . . 176.8 133.8 1.87 Allowed Glycine 0 CA--C 1.524 0.647 0 N-CA-C 111.303 -0.719 . . . . 0.0 111.303 -177.983 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 148' ' ' PRO . . . . . 0.437 ' HD3' ' HA2' ' A' ' 147' ' ' GLY . 51.9 Cg_exo -58.83 148.33 84.26 Favored 'Trans proline' 0 N--CA 1.457 -0.665 0 C-N-CA 121.782 1.655 . . . . 0.0 111.161 177.639 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 149' ' ' ARG . . . . . . . . . . . . . 34.9 ptt180 . . . . . 0 C--N 1.329 -0.303 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.233 173.448 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' B' B ' 67' ' ' GLU . . . . . 0.553 ' N ' ' HH ' ' B' ' 122' ' ' TYR . 79.8 mm-40 . . . . . 0 C--O 1.232 0.149 0 CA-C-O 120.66 0.267 . . . . 0.0 111.095 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 68' ' ' MET . . . . . . . . . . . . . 59.9 ttm -73.04 123.48 23.62 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.222 177.672 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 69' ' ' ARG . . . . . . . . . . . . . 78.2 ttt180 -121.92 115.04 21.86 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.239 175.056 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 70' ' ' LEU . . . . . . . . . . . . . 62.4 tp -78.04 105.84 9.52 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.255 178.761 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 71' ' ' GLU . . . . . 0.533 ' O ' ' C ' ' B' ' 72' ' ' LYS . 80.9 mm-40 -70.79 -177.63 1.64 Allowed 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.244 167.018 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 72' ' ' LYS . . . . . 0.533 ' C ' ' O ' ' B' ' 71' ' ' GLU . 88.0 tttt -27.25 -61.6 0.09 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.192 -176.352 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 73' ' ' ASP . . . . . . . . . . . . . 58.0 p-10 -144.56 44.55 1.39 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.27 -177.555 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 74' ' ' ARG . . . . . . . . . . . . . 20.6 ptp180 -178.58 144.25 0.28 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.195 -178.04 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 75' ' ' PHE . . . . . 0.425 ' CD1' ' C ' ' B' ' 75' ' ' PHE . 7.6 p90 -108.48 155.5 20.54 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.109 -172.985 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 76' ' ' SER . . . . . . . . . . . . . 38.2 t -138.18 126.08 22.55 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.091 -0.504 . . . . 0.0 111.174 174.084 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 77' ' ' VAL . . . . . . . . . . . . . 64.2 t -98.82 109.81 24.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.172 -174.361 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 78' ' ' ASN . . . . . . . . . . . . . 62.2 t-20 -84.74 85.54 7.43 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.254 -178.841 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 79' ' ' LEU . . . . . 0.407 HD12 ' HG ' ' B' ' 143' ' ' LEU . 75.0 mt -77.84 135.65 37.96 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.166 -172.86 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 80' ' ' ASP . . . . . . . . . . . . . 66.0 t0 -91.1 117.66 29.78 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.112 -0.494 . . . . 0.0 111.215 -177.896 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 81' ' ' VAL . . . . . . . . . . . . . 87.3 t -107.11 114.62 46.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.25 175.966 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 82' ' ' LYS . . . . . . . . . . . . . 88.1 tttt -106.54 93.65 4.71 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.244 -173.81 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 83' ' ' HIS . . . . . . . . . . . . . 79.5 m-70 62.01 49.93 4.35 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.149 174.953 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 84' ' ' PHE . . . . . 0.444 ' HA ' ' HB2' ' B' ' 104' ' ' HIS . 91.7 m-85 -120.1 149.41 42.25 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.203 172.344 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 85' ' ' SER . . . . . 0.43 ' O ' ' HG ' ' B' ' 89' ' ' LEU . 67.5 m -91.8 137.47 25.44 Favored Pre-proline 0 C--N 1.33 -0.24 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.129 -178.811 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 86' ' ' PRO . . . . . . . . . . . . . 55.7 Cg_endo -67.82 -15.69 44.5 Favored 'Trans proline' 0 N--CA 1.459 -0.556 0 C-N-CA 121.721 1.614 . . . . 0.0 111.179 179.763 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 87' ' ' GLU . . . . . . . . . . . . . 99.1 mt-10 -78.6 -14.96 59.06 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.278 172.397 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 88' ' ' GLU . . . . . . . . . . . . . 73.4 mt-10 -120.68 -4.56 9.75 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.205 -179.235 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 89' ' ' LEU . . . . . 0.43 ' HG ' ' O ' ' B' ' 85' ' ' SER . 92.0 mt -82.3 140.14 33.76 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.191 170.224 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 90' ' ' LYS . . . . . . . . . . . . . 97.9 mttt -134.68 64.9 1.58 Allowed 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.147 -179.319 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 91' ' ' VAL . . . . . . . . . . . . . 13.1 p -60.05 135.25 24.89 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.242 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.32 178.236 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 92' ' ' LYS . . . . . 0.421 ' O ' ' N ' ' B' ' 99' ' ' GLU . 86.9 tttt -153.64 156.61 38.24 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.223 -172.972 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 93' ' ' VAL . . . . . . . . . . . . . 33.6 m -124.3 160.68 28.41 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.279 -0.419 . . . . 0.0 111.268 167.546 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 94' ' ' LEU . . . . . . . . . . . . . 25.2 tp -144.91 70.68 1.28 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.206 177.824 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 95' ' ' GLY . . . . . . . . . . . . . . . 82.28 -103.23 2.37 Favored Glycine 0 CA--C 1.523 0.571 0 N-CA-C 111.161 -0.775 . . . . 0.0 111.161 179.618 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 96' ' ' ASP . . . . . . . . . . . . . 51.2 p-10 -103.48 21.37 16.16 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.769 0.318 . . . . 0.0 111.174 -177.399 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 97' ' ' VAL . . . . . 0.457 ' HA ' ' HA ' ' B' ' 123' ' ' ARG . 33.9 m -131.23 162.32 39.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.142 171.701 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 98' ' ' ILE . . . . . . . . . . . . . 63.3 mt -118.1 94.5 3.11 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.234 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.276 172.823 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 99' ' ' GLU . . . . . 0.421 ' N ' ' O ' ' B' ' 92' ' ' LYS . 57.1 mt-10 -72.39 78.91 1.02 Allowed 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.18 -176.005 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 100' ' ' VAL . . . . . 0.498 ' HB ' ' HB2' ' B' ' 120' ' ' ARG . 47.9 t -76.84 77.83 0.63 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.368 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.208 -178.223 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 101' ' ' HIS . . . . . . . . . . . . . 63.7 t-80 -81.4 151.15 28.05 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.158 176.064 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 102' ' ' GLY . . . . . 0.402 ' HA2' ' HA ' ' B' ' 89' ' ' LEU . . . -179.24 160.96 26.76 Favored Glycine 0 CA--C 1.524 0.611 0 N-CA-C 111.216 -0.754 . . . . 0.0 111.216 177.244 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 103' ' ' LYS . . . . . 0.448 ' HA ' ' O ' ' B' ' 116' ' ' ARG . 64.2 pttt -156.15 151.89 27.24 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.658 0.266 . . . . 0.0 111.267 176.482 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 104' ' ' HIS . . . . . 0.444 ' HB2' ' HA ' ' B' ' 84' ' ' PHE . 26.7 t-80 -129.72 115.31 17.14 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.211 161.866 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 105' ' ' GLU . . . . . 0.561 ' O ' ' C ' ' B' ' 106' ' ' GLU . 98.2 mt-10 -66.59 -175.57 0.39 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.141 -177.339 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 106' ' ' GLU . . . . . 0.561 ' C ' ' O ' ' B' ' 105' ' ' GLU . 99.2 mt-10 -25.56 116.42 0.06 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.21 -170.988 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 107' ' ' ARG . . . . . . . . . . . . . 54.0 ttp180 -134.83 74.64 1.53 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.272 -161.648 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 108' ' ' GLN . . . . . . . . . . . . . 73.6 tp60 -45.3 109.42 0.17 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.208 178.284 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 109' ' ' ASP . . . . . . . . . . . . . 14.4 t0 -164.15 -136.77 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.116 -172.553 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 110' ' ' GLU . . . . . . . . . . . . . 99.8 mt-10 -46.34 -64.49 0.74 Allowed 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.172 -178.282 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 111' ' ' HIS . . . . . . . . . . . . . 69.6 m80 -111.26 79.74 1.24 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.163 -0.472 . . . . 0.0 111.189 -176.005 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 112' ' ' GLY . . . . . 0.403 ' HA3' ' HA ' ' A' ' 122' ' ' TYR . . . 55.37 -134.02 49.01 Favored Glycine 0 CA--C 1.522 0.512 0 N-CA-C 111.266 -0.734 . . . . 0.0 111.266 -178.477 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 113' ' ' PHE . . . . . 0.477 ' O ' ' N ' ' A' ' 121' ' ' LYS . 97.3 m-85 -89.37 130.13 35.79 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.824 0.345 . . . . 0.0 111.049 172.469 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 114' ' ' ILE . . . . . . . . . . . . . 5.0 mp -118.65 99.27 7.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.19 -178.59 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 115' ' ' SER . . . . . 0.432 ' HB3' ' HB3' ' A' ' 119' ' ' HIS . 46.1 t -93.04 94.17 8.73 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.228 175.145 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 116' ' ' ARG . . . . . 0.48 ' HA ' ' HA ' ' A' ' 118' ' ' PHE . 42.4 ttm180 -121.44 104.44 9.68 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.166 -162.661 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 117' ' ' GLU . . . . . . . . . . . . . 86.1 tt0 -101.63 121.06 41.31 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.203 175.389 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 118' ' ' PHE . . . . . 0.49 ' HA ' ' HA ' ' A' ' 116' ' ' ARG . 39.6 p90 -124.79 165.98 17.02 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.233 -171.784 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 119' ' ' HIS . . . . . 0.426 ' HB3' ' HB3' ' A' ' 115' ' ' SER . 19.2 t-160 -148.03 81.55 1.49 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.287 -0.415 . . . . 0.0 111.212 -179.886 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 120' ' ' ARG . . . . . 0.498 ' HB2' ' HB ' ' B' ' 100' ' ' VAL . 87.6 mtm180 -86.01 81.98 8.28 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.161 -173.808 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 121' ' ' LYS . . . . . 0.486 ' N ' ' O ' ' A' ' 113' ' ' PHE . 41.8 ttmt -68.59 78.95 0.28 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.257 -179.05 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 122' ' ' TYR . . . . . 0.553 ' HH ' ' N ' ' B' ' 67' ' ' GLU . 3.3 t80 -72.48 110.11 6.64 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.321 -176.421 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 123' ' ' ARG . . . . . 0.457 ' HA ' ' HA ' ' B' ' 97' ' ' VAL . 50.4 ttt180 -94.0 143.61 26.2 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.274 -159.485 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 124' ' ' ILE . . . . . . . . . . . . . 13.3 mt -109.95 136.54 20.4 Favored Pre-proline 0 C--N 1.33 -0.267 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.147 -176.41 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 125' ' ' PRO . . . . . . . . . . . . . 71.6 Cg_exo -46.37 153.35 1.15 Allowed 'Trans proline' 0 N--CA 1.458 -0.582 0 C-N-CA 121.63 1.553 . . . . 0.0 111.201 165.706 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 126' ' ' ALA . . . . . . . . . . . . . . . -77.41 7.57 5.22 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.049 -167.069 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 127' ' ' ASP . . . . . . . . . . . . . 95.0 m-20 -84.0 -8.17 59.21 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.333 -0.394 . . . . 0.0 111.226 -179.397 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 128' ' ' VAL . . . . . . . . . . . . . 10.6 p -78.83 150.18 5.36 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.234 -171.504 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 129' ' ' ASP . . . . . . . . . . . . . 64.8 t0 -101.39 109.81 59.89 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.21 167.511 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 130' ' ' PRO . . . . . . . . . . . . . 93.3 Cg_exo -55.43 -31.47 77.93 Favored 'Trans proline' 0 N--CA 1.458 -0.604 0 C-N-CA 121.667 1.578 . . . . 0.0 111.129 -173.315 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 131' ' ' LEU . . . . . . . . . . . . . 96.8 mt -82.68 -2.9 55.43 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.178 -169.444 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 132' ' ' THR . . . . . . . . . . . . . 69.7 p -112.92 10.78 19.01 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.196 -178.931 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 133' ' ' ILE . . . . . . . . . . . . . 94.4 mt -90.51 125.34 43.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.193 179.188 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 134' ' ' THR . . . . . . . . . . . . . 92.9 m -125.34 124.9 42.56 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.219 178.576 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 135' ' ' SER . . . . . . . . . . . . . 85.3 p -95.15 163.15 13.41 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.183 178.505 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 136' ' ' SER . . . . . . . . . . . . . 44.5 t -153.55 114.54 4.1 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.204 175.71 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 137' ' ' LEU . . . . . . . . . . . . . 49.9 tp -101.64 110.75 22.81 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.207 -175.697 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 138' ' ' SER . . . . . . . . . . . . . 32.9 t -82.76 143.15 31.06 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.208 171.156 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 139' ' ' SER . . . . . . . . . . . . . 88.9 p -72.51 -10.83 60.27 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.218 179.017 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 140' ' ' ASP . . . . . . . . . . . . . 93.7 m-20 -81.68 -18.26 45.12 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.134 -0.484 . . . . 0.0 111.215 177.899 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 141' ' ' GLY . . . . . . . . . . . . . . . 112.85 11.61 13.99 Favored Glycine 0 CA--C 1.523 0.539 0 N-CA-C 111.268 -0.733 . . . . 0.0 111.268 179.309 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 142' ' ' VAL . . . . . . . . . . . . . 48.9 t -94.74 79.5 1.2 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-O 120.789 0.328 . . . . 0.0 111.208 176.889 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 143' ' ' LEU . . . . . 0.407 ' HG ' HD12 ' B' ' 79' ' ' LEU . 59.7 tp -88.61 124.63 34.25 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.129 176.295 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 144' ' ' THR . . . . . . . . . . . . . 92.0 m -127.24 124.16 38.21 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.144 -177.82 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 145' ' ' VAL . . . . . . . . . . . . . 60.8 t -118.67 118.82 59.15 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.208 174.617 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 146' ' ' ASP . . . . . 0.431 ' OD1' ' C ' ' B' ' 146' ' ' ASP . 20.8 p30 -134.87 160.75 37.25 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.23 -170.045 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 147' ' ' GLY . . . . . 0.435 ' HA2' ' HD3' ' B' ' 148' ' ' PRO . . . 176.87 133.95 1.9 Allowed Glycine 0 CA--C 1.523 0.567 0 N-CA-C 111.212 -0.755 . . . . 0.0 111.212 -178.031 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 148' ' ' PRO . . . . . 0.435 ' HD3' ' HA2' ' B' ' 147' ' ' GLY . 52.1 Cg_exo -58.92 148.38 84.77 Favored 'Trans proline' 0 N--CA 1.458 -0.604 0 C-N-CA 121.772 1.648 . . . . 0.0 111.147 177.515 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 149' ' ' ARG . . . . . . . . . . . . . 34.8 ptt180 . . . . . 0 C--N 1.33 -0.264 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.185 173.534 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 63.4 mt-10 . . . . . 0 C--O 1.231 0.124 0 CA-C-O 120.865 0.364 . . . . 0.0 111.253 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 68' ' ' MET . . . . . . . . . . . . . 55.2 ttp -73.01 119.87 17.85 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.163 172.226 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 37.7 ptt180 -163.71 153.49 14.89 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.243 178.118 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 49.2 tp -100.11 115.95 30.99 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.234 166.005 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 71' ' ' GLU . . . . . 0.472 ' O ' ' C ' ' A' ' 72' ' ' LYS . 98.5 mt-10 -71.41 -175.93 1.39 Allowed 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.087 -0.506 . . . . 0.0 111.325 173.88 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 72' ' ' LYS . . . . . 0.472 ' C ' ' O ' ' A' ' 71' ' ' GLU . 88.0 tttt -27.54 -58.99 0.1 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.136 174.041 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 56.5 p-10 -152.82 56.68 0.79 Allowed 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.3 170.225 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 35.0 tpt85 -160.22 106.81 1.57 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.169 -173.034 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 75' ' ' PHE . . . . . . . . . . . . . 77.1 t80 -97.28 130.06 44.51 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.186 -174.781 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 95.3 p -139.79 154.04 47.27 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.282 -0.417 . . . . 0.0 111.184 -178.213 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 95.2 t -133.12 98.21 2.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.245 175.606 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 48.3 t30 -91.58 112.64 24.65 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.26 174.331 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -130.37 159.0 38.32 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.135 -172.555 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 63.6 t0 -90.16 121.48 32.24 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.213 -172.611 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 29.5 m -144.02 31.35 0.25 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.312 173.765 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 98.8 mttt -89.37 45.28 1.27 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.051 -0.522 . . . . 0.0 111.208 -166.863 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 95.5 m-70 -141.32 -5.2 1.1 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.288 179.88 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 84' ' ' PHE . . . . . 0.505 ' CD1' ' HB2' ' A' ' 104' ' ' HIS . 14.0 p90 -155.88 179.18 9.45 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.241 -172.429 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 65.1 m -98.73 158.96 31.53 Favored Pre-proline 0 C--N 1.328 -0.332 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.181 -160.64 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 59.2 Cg_endo -65.29 -15.78 51.59 Favored 'Trans proline' 0 N--CA 1.458 -0.569 0 C-N-CA 121.664 1.576 . . . . 0.0 111.148 173.472 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 98.6 mt-10 -91.03 -22.6 20.69 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.105 174.813 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 45.1 tp10 -75.05 -35.7 61.87 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.183 173.934 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 3.9 pp -99.47 149.25 23.4 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.285 -177.1 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 98.4 mttt -125.49 88.45 2.87 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.268 -179.923 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 96.7 t -69.76 116.96 11.81 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.398 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.237 175.409 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 98.3 mttt -130.63 169.79 15.16 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.304 -0.407 . . . . 0.0 111.271 177.578 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 93' ' ' VAL . . . . . 0.474 ' HA ' ' HA ' ' A' ' 98' ' ' ILE . 34.9 m -113.77 159.15 13.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.282 -0.417 . . . . 0.0 111.23 166.789 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 26.7 tp -142.17 66.45 1.34 Allowed 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.147 176.989 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 74.03 -103.34 1.46 Allowed Glycine 0 CA--C 1.522 0.484 0 N-CA-C 111.23 -0.748 . . . . 0.0 111.23 174.283 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 92.8 m-20 -79.51 -14.43 58.88 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.77 0.319 . . . . 0.0 111.144 -176.369 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 97' ' ' VAL . . . . . 0.555 ' HA ' ' HA ' ' A' ' 123' ' ' ARG . 34.7 m -123.77 175.92 5.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.237 -177.565 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 98' ' ' ILE . . . . . 0.474 ' HA ' ' HA ' ' A' ' 93' ' ' VAL . 83.7 mt -121.49 94.15 2.83 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.4 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.215 178.554 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 88.5 tt0 -73.16 78.29 1.27 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.275 -171.773 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 100' ' ' VAL . . . . . . . . . . . . . 94.8 t -68.54 87.53 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.245 173.723 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 101' ' ' HIS . . . . . 0.406 ' HA ' ' HA ' ' A' ' 119' ' ' HIS . 13.5 t-160 -87.39 64.59 8.29 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.209 -175.36 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . -86.05 168.3 40.81 Favored Glycine 0 CA--C 1.524 0.6 0 N-CA-C 111.28 -0.728 . . . . 0.0 111.28 177.49 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 103' ' ' LYS . . . . . 0.414 ' HA ' ' O ' ' A' ' 116' ' ' ARG . 64.6 pttt -164.21 161.57 22.16 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 120.856 0.36 . . . . 0.0 111.22 176.731 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 104' ' ' HIS . . . . . 0.505 ' HB2' ' CD1' ' A' ' 84' ' ' PHE . 1.5 t-80 -134.02 102.15 5.31 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.14 164.206 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 96.4 mt-10 -88.13 157.08 18.94 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.204 -179.472 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 94.5 mt-10 48.23 49.85 17.12 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.212 -174.755 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 107' ' ' ARG . . . . . 0.442 ' HB3' HG13 ' A' ' 114' ' ' ILE . 74.7 ttt-85 -86.4 82.63 7.9 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.198 -171.329 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 108' ' ' GLN . . . . . . . . . . . . . 73.1 tp60 -56.51 124.15 17.23 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.13 -0.487 . . . . 0.0 111.137 177.084 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 14.4 t0 -150.13 175.94 11.28 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.238 -179.546 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 51.2 tp10 -52.03 -33.73 40.0 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.246 179.686 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 111' ' ' HIS . . . . . . . . . . . . . 85.3 m-70 -131.33 67.77 1.51 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.29 -175.649 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 112' ' ' GLY . . . . . 0.41 ' HA3' ' HA ' ' A' ' 113' ' ' PHE . . . -160.34 -137.84 2.31 Favored Glycine 0 CA--C 1.524 0.634 0 N-CA-C 111.135 -0.786 . . . . 0.0 111.135 179.657 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 113' ' ' PHE . . . . . 0.41 ' HA ' ' HA3' ' A' ' 112' ' ' GLY . 46.9 p90 -76.84 167.38 21.92 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.783 0.325 . . . . 0.0 111.257 9.519 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 114' ' ' ILE . . . . . 0.442 HG13 ' HB3' ' A' ' 107' ' ' ARG . 38.1 pt -128.89 177.29 6.51 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.172 -176.639 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 115' ' ' SER . . . . . 0.443 ' O ' ' HA ' ' B' ' 118' ' ' PHE . 48.0 t -138.44 110.05 7.07 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.219 171.95 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 116' ' ' ARG . . . . . 0.414 ' O ' ' HA ' ' A' ' 103' ' ' LYS . 59.5 ttp180 -105.97 88.4 2.8 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.208 -170.23 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 81.8 tt0 -105.73 114.81 29.19 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.192 -176.983 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 118' ' ' PHE . . . . . 0.439 ' HA ' ' O ' ' B' ' 115' ' ' SER . 27.8 p90 -121.57 161.36 22.52 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.305 -0.407 . . . . 0.0 111.224 -172.202 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 119' ' ' HIS . . . . . 0.418 ' HB2' ' HB3' ' B' ' 115' ' ' SER . 13.4 m80 -131.36 65.99 1.55 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.194 178.362 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 98.9 mtt180 -75.86 96.27 3.67 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.206 -161.908 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 121' ' ' LYS . . . . . . . . . . . . . 98.3 mttt -86.37 76.7 9.62 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.134 -171.595 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 122' ' ' TYR . . . . . . . . . . . . . 97.8 m-85 -64.38 109.98 2.11 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.244 -178.346 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 123' ' ' ARG . . . . . 0.555 ' HA ' ' HA ' ' A' ' 97' ' ' VAL . 56.1 ttt180 -76.81 129.73 36.66 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.092 -166.662 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 124' ' ' ILE . . . . . . . . . . . . . 76.0 mt -82.08 122.77 79.9 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.189 -173.068 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 125' ' ' PRO . . . . . . . . . . . . . 86.4 Cg_exo -49.7 140.48 29.42 Favored 'Trans proline' 0 N--CA 1.458 -0.568 0 C-N-CA 121.773 1.649 . . . . 0.0 111.139 172.917 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . -59.49 -15.78 20.01 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.065 -0.516 . . . . 0.0 111.277 -176.906 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 127' ' ' ASP . . . . . . . . . . . . . 85.1 m-20 -95.12 9.19 40.51 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.19 -177.419 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 128' ' ' VAL . . . . . . . . . . . . . 97.8 t -123.35 133.29 69.56 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 CA-C-N 116.235 -0.438 . . . . 0.0 111.198 -175.962 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 65.5 t0 -87.5 118.79 70.3 Favored Pre-proline 0 C--N 1.328 -0.344 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.205 -179.27 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 130' ' ' PRO . . . . . . . . . . . . . 88.6 Cg_exo -52.71 -32.32 54.7 Favored 'Trans proline' 0 N--CA 1.456 -0.714 0 C-N-CA 121.664 1.576 . . . . 0.0 111.205 -179.271 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 131' ' ' LEU . . . . . . . . . . . . . 95.7 mt -72.16 -21.03 61.51 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.229 -171.949 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 132' ' ' THR . . . . . . . . . . . . . 59.6 p -88.68 -2.2 58.47 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.227 -177.817 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 133' ' ' ILE . . . . . . . . . . . . . 89.2 mt -95.81 120.07 44.71 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.147 -173.931 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 134' ' ' THR . . . . . . . . . . . . . 89.0 m -132.91 136.53 46.21 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.161 179.907 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 135' ' ' SER . . . . . 0.43 ' HA ' ' HA ' ' A' ' 145' ' ' VAL . 83.8 p -81.74 157.45 24.54 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.131 -177.35 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 136' ' ' SER . . . . . . . . . . . . . 44.4 t -150.68 139.5 20.83 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.176 172.181 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 137' ' ' LEU . . . . . . . . . . . . . 7.7 tt -135.47 139.91 44.42 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.204 -171.497 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 138' ' ' SER . . . . . . . . . . . . . 27.4 p -107.08 174.19 6.0 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.171 -176.264 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 139' ' ' SER . . . . . . . . . . . . . 86.4 p -67.63 -19.3 65.2 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.215 178.439 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 140' ' ' ASP . . . . . . . . . . . . . 88.1 m-20 -87.01 -13.08 45.49 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.211 178.298 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 141' ' ' GLY . . . . . . . . . . . . . . . 97.38 20.52 22.45 Favored Glycine 0 CA--C 1.524 0.607 0 N-CA-C 111.128 -0.789 . . . . 0.0 111.128 -179.723 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 142' ' ' VAL . . . . . . . . . . . . . 64.2 t -77.61 88.85 1.01 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-O 120.723 0.296 . . . . 0.0 111.252 179.181 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 143' ' ' LEU . . . . . . . . . . . . . 62.6 tp -96.34 122.98 39.8 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.219 -176.11 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 144' ' ' THR . . . . . . . . . . . . . 90.4 m -130.16 119.48 23.06 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.124 179.342 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 145' ' ' VAL . . . . . 0.43 ' HA ' ' HA ' ' A' ' 135' ' ' SER . 43.7 t -107.97 102.94 14.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.233 179.25 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 146' ' ' ASP . . . . . . . . . . . . . 4.0 p30 -142.86 138.48 30.31 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.156 -158.393 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 147' ' ' GLY . . . . . . . . . . . . . . . -147.01 137.83 6.92 Favored Glycine 0 CA--C 1.522 0.49 0 N-CA-C 111.265 -0.734 . . . . 0.0 111.265 174.44 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 148' ' ' PRO . . . . . . . . . . . . . 75.3 Cg_exo -57.48 151.72 51.88 Favored 'Trans proline' 0 N--CA 1.457 -0.649 0 C-N-CA 121.73 1.62 . . . . 0.0 111.225 -179.754 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 149' ' ' ARG . . . . . . . . . . . . . 74.7 ttt180 . . . . . 0 C--N 1.328 -0.349 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.189 175.378 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' B' B ' 67' ' ' GLU . . . . . . . . . . . . . 63.5 mt-10 . . . . . 0 C--O 1.232 0.163 0 CA-C-O 120.772 0.32 . . . . 0.0 111.185 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' B' B ' 68' ' ' MET . . . . . . . . . . . . . 55.2 ttp -72.94 119.73 17.58 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.163 172.228 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 69' ' ' ARG . . . . . . . . . . . . . 37.8 ptt180 -163.72 153.55 14.94 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.191 178.072 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 70' ' ' LEU . . . . . . . . . . . . . 48.9 tp -100.02 115.99 31.02 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.212 166.151 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 71' ' ' GLU . . . . . 0.486 ' O ' ' C ' ' B' ' 72' ' ' LYS . 98.6 mt-10 -71.55 -175.98 1.45 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.266 174.011 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 72' ' ' LYS . . . . . 0.486 ' C ' ' O ' ' B' ' 71' ' ' GLU . 88.1 tttt -27.54 -58.89 0.1 Allowed 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.205 173.971 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 73' ' ' ASP . . . . . . . . . . . . . 56.4 p-10 -152.87 56.73 0.79 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.172 170.275 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 74' ' ' ARG . . . . . . . . . . . . . 34.8 tpt85 -160.3 106.8 1.55 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.315 -0.402 . . . . 0.0 111.126 -173.019 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 75' ' ' PHE . . . . . . . . . . . . . 77.9 t80 -97.26 129.9 44.52 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.307 -174.839 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 76' ' ' SER . . . . . . . . . . . . . 97.3 p -139.8 154.08 47.27 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.313 -0.403 . . . . 0.0 111.158 -178.212 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 77' ' ' VAL . . . . . . . . . . . . . 96.2 t -133.1 98.19 2.74 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-N 116.112 -0.494 . . . . 0.0 111.249 175.681 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 78' ' ' ASN . . . . . . . . . . . . . 48.2 t30 -91.56 112.76 24.81 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.25 174.273 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 79' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -130.47 158.87 38.74 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.258 -172.577 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 80' ' ' ASP . . . . . . . . . . . . . 63.6 t0 -90.06 121.52 32.21 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.214 -172.49 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 81' ' ' VAL . . . . . . . . . . . . . 30.6 m -144.09 31.4 0.25 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.182 173.77 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 82' ' ' LYS . . . . . . . . . . . . . 98.8 mttt -89.23 45.02 1.25 Allowed 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.209 -166.866 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 83' ' ' HIS . . . . . . . . . . . . . 95.6 m-70 -141.2 -5.15 1.12 Allowed 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.297 179.9 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 84' ' ' PHE . . . . . 0.508 ' CD1' ' HB2' ' B' ' 104' ' ' HIS . 13.7 p90 -155.92 179.22 9.42 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.252 -172.441 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 85' ' ' SER . . . . . . . . . . . . . 65.4 m -98.7 159.05 31.37 Favored Pre-proline 0 C--N 1.327 -0.401 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.23 -160.65 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 86' ' ' PRO . . . . . . . . . . . . . 59.2 Cg_endo -65.35 -15.84 51.71 Favored 'Trans proline' 0 C--N 1.328 -0.521 0 C-N-CA 121.666 1.578 . . . . 0.0 111.208 173.514 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 87' ' ' GLU . . . . . . . . . . . . . 98.6 mt-10 -90.98 -22.58 20.74 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.073 -0.512 . . . . 0.0 111.155 174.775 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 88' ' ' GLU . . . . . . . . . . . . . 45.3 tp10 -74.97 -35.7 62.06 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.24 173.944 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 89' ' ' LEU . . . . . . . . . . . . . 3.9 pp -99.47 149.23 23.42 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.207 -176.981 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 90' ' ' LYS . . . . . . . . . . . . . 98.5 mttt -125.6 88.48 2.87 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.136 -179.928 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 91' ' ' VAL . . . . . . . . . . . . . 96.9 t -69.75 117.11 12.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.169 175.336 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 92' ' ' LYS . . . . . . . . . . . . . 98.3 mttt -130.77 169.74 15.3 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.203 177.611 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 93' ' ' VAL . . . . . 0.48 ' HA ' ' HA ' ' B' ' 98' ' ' ILE . 34.9 m -113.82 159.08 13.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.18 166.844 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 94' ' ' LEU . . . . . . . . . . . . . 27.0 tp -142.13 66.67 1.34 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.171 176.871 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 95' ' ' GLY . . . . . . . . . . . . . . . 73.92 -103.28 1.44 Allowed Glycine 0 CA--C 1.524 0.616 0 N-CA-C 111.195 -0.762 . . . . 0.0 111.195 174.252 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 96' ' ' ASP . . . . . . . . . . . . . 92.4 m-20 -79.55 -14.47 58.82 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-O 120.78 0.324 . . . . 0.0 111.171 -176.337 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 97' ' ' VAL . . . . . 0.582 ' HA ' ' HA ' ' B' ' 123' ' ' ARG . 34.7 m -123.75 175.8 6.02 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.186 -177.518 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 98' ' ' ILE . . . . . 0.48 ' HA ' ' HA ' ' B' ' 93' ' ' VAL . 83.4 mt -121.47 94.33 2.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.266 -0.424 . . . . 0.0 111.153 178.528 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 99' ' ' GLU . . . . . . . . . . . . . 88.4 tt0 -73.26 78.23 1.31 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.286 -171.864 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 100' ' ' VAL . . . . . 0.402 ' HB ' ' HB2' ' B' ' 120' ' ' ARG . 94.7 t -68.57 87.63 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.202 173.744 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 101' ' ' HIS . . . . . . . . . . . . . 13.7 t-160 -87.36 64.54 8.29 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.239 -175.425 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 102' ' ' GLY . . . . . . . . . . . . . . . -86.05 168.24 40.76 Favored Glycine 0 CA--C 1.523 0.586 0 N-CA-C 111.351 -0.7 . . . . 0.0 111.351 177.507 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 103' ' ' LYS . . . . . 0.411 ' HA ' ' O ' ' B' ' 116' ' ' ARG . 64.6 pttt -164.12 161.55 22.41 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-O 120.816 0.341 . . . . 0.0 111.187 176.827 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 104' ' ' HIS . . . . . 0.508 ' HB2' ' CD1' ' B' ' 84' ' ' PHE . 1.5 t-80 -133.97 102.16 5.32 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.219 164.06 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 105' ' ' GLU . . . . . . . . . . . . . 96.4 mt-10 -88.27 157.02 18.89 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.221 -179.48 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 106' ' ' GLU . . . . . . . . . . . . . 94.6 mt-10 48.33 49.96 17.18 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.222 -174.679 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 107' ' ' ARG . . . . . 0.451 ' HB3' HG13 ' B' ' 114' ' ' ILE . 74.7 ttt-85 -86.48 82.53 7.91 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.273 -171.364 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 108' ' ' GLN . . . . . . . . . . . . . 73.1 tp60 -56.59 124.11 17.16 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.131 177.175 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 109' ' ' ASP . . . . . . . . . . . . . 14.3 t0 -150.07 175.97 11.24 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.218 -179.548 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 110' ' ' GLU . . . . . . . . . . . . . 51.5 tp10 -52.05 -33.75 40.33 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.208 179.726 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 111' ' ' HIS . . . . . . . . . . . . . 85.6 m-70 -131.29 67.83 1.51 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.15 -175.601 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 112' ' ' GLY . . . . . . . . . . . . . . . -160.42 -137.9 2.32 Favored Glycine 0 CA--C 1.524 0.632 0 N-CA-C 111.084 -0.806 . . . . 0.0 111.084 179.623 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 113' ' ' PHE . . . . . . . . . . . . . 47.3 p90 -76.99 167.34 21.99 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.759 0.314 . . . . 0.0 111.201 9.617 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 114' ' ' ILE . . . . . 0.451 HG13 ' HB3' ' B' ' 107' ' ' ARG . 37.8 pt -128.78 177.34 6.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.204 -176.66 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 115' ' ' SER . . . . . 0.439 ' O ' ' HA ' ' A' ' 118' ' ' PHE . 47.8 t -138.39 110.12 7.12 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.103 171.983 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 116' ' ' ARG . . . . . 0.411 ' O ' ' HA ' ' B' ' 103' ' ' LYS . 59.4 ttp180 -106.02 88.41 2.8 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.175 -170.369 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 117' ' ' GLU . . . . . . . . . . . . . 81.8 tt0 -105.81 114.79 29.15 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.254 -177.048 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 118' ' ' PHE . . . . . 0.443 ' HA ' ' O ' ' A' ' 115' ' ' SER . 27.9 p90 -121.44 161.45 22.19 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.299 -172.131 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 119' ' ' HIS . . . . . 0.417 ' HB2' ' HB3' ' A' ' 115' ' ' SER . 13.2 m80 -131.53 66.07 1.55 Allowed 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.173 178.277 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 120' ' ' ARG . . . . . 0.402 ' HB2' ' HB ' ' B' ' 100' ' ' VAL . 98.9 mtt180 -75.86 96.3 3.67 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.211 -161.961 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 121' ' ' LYS . . . . . . . . . . . . . 98.3 mttt -86.43 76.9 9.56 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.173 -171.639 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 122' ' ' TYR . . . . . . . . . . . . . 97.7 m-85 -64.55 109.91 2.14 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.168 -178.232 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 123' ' ' ARG . . . . . 0.582 ' HA ' ' HA ' ' B' ' 97' ' ' VAL . 56.3 ttt180 -76.75 129.81 36.82 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.169 -166.675 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 124' ' ' ILE . . . . . . . . . . . . . 76.5 mt -82.13 122.83 79.84 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.108 -173.013 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 125' ' ' PRO . . . . . . . . . . . . . 86.5 Cg_exo -49.8 140.54 30.11 Favored 'Trans proline' 0 N--CA 1.458 -0.57 0 C-N-CA 121.581 1.521 . . . . 0.0 111.219 172.826 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 126' ' ' ALA . . . . . . . . . . . . . . . -59.51 -15.93 21.13 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.092 -0.504 . . . . 0.0 111.162 -176.763 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 127' ' ' ASP . . . . . . . . . . . . . 85.0 m-20 -94.94 9.13 40.48 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.354 -177.545 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 128' ' ' VAL . . . . . . . . . . . . . 96.9 t -123.33 133.37 69.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.134 -175.872 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 129' ' ' ASP . . . . . . . . . . . . . 65.4 t0 -87.61 118.9 70.39 Favored Pre-proline 0 C--N 1.328 -0.338 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.106 -179.281 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 130' ' ' PRO . . . . . . . . . . . . . 88.7 Cg_exo -52.71 -32.36 54.82 Favored 'Trans proline' 0 N--CA 1.458 -0.569 0 C-N-CA 121.698 1.598 . . . . 0.0 111.215 -179.345 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 131' ' ' LEU . . . . . . . . . . . . . 95.6 mt -72.28 -20.99 61.42 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.164 -171.84 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 132' ' ' THR . . . . . . . . . . . . . 57.9 p -88.56 -2.43 58.59 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.264 -177.909 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 133' ' ' ILE . . . . . . . . . . . . . 88.9 mt -95.76 120.07 44.66 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.166 -173.902 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 134' ' ' THR . . . . . . . . . . . . . 88.4 m -132.89 136.6 46.28 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.229 179.816 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 135' ' ' SER . . . . . 0.419 ' HA ' ' HA ' ' B' ' 145' ' ' VAL . 83.8 p -81.69 157.44 24.61 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.101 -177.302 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 136' ' ' SER . . . . . . . . . . . . . 44.5 t -150.73 139.39 20.67 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.231 172.233 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 137' ' ' LEU . . . . . . . . . . . . . 7.8 tt -135.43 139.88 44.48 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.242 -171.47 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 138' ' ' SER . . . . . . . . . . . . . 27.0 p -107.12 174.32 5.94 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.134 -176.32 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 139' ' ' SER . . . . . . . . . . . . . 86.1 p -67.75 -19.28 65.1 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.143 178.517 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 140' ' ' ASP . . . . . . . . . . . . . 88.5 m-20 -87.08 -12.97 45.6 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.293 -0.412 . . . . 0.0 111.122 178.348 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 141' ' ' GLY . . . . . . . . . . . . . . . 97.26 20.62 22.48 Favored Glycine 0 CA--C 1.522 0.525 0 N-CA-C 111.247 -0.741 . . . . 0.0 111.247 -179.69 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 142' ' ' VAL . . . . . . . . . . . . . 64.9 t -77.77 88.91 1.04 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-O 120.773 0.32 . . . . 0.0 111.141 179.248 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 143' ' ' LEU . . . . . . . . . . . . . 62.6 tp -96.19 122.92 39.56 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.266 -176.236 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 144' ' ' THR . . . . . . . . . . . . . 89.5 m -130.24 119.63 23.21 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.032 179.319 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 145' ' ' VAL . . . . . 0.419 ' HA ' ' HA ' ' B' ' 135' ' ' SER . 44.1 t -108.11 103.05 14.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.12 179.339 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 146' ' ' ASP . . . . . . . . . . . . . 4.0 p30 -142.96 138.54 30.17 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.108 -158.473 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 147' ' ' GLY . . . . . 0.446 ' HA2' ' HD3' ' B' ' 148' ' ' PRO . . . -146.95 137.91 6.98 Favored Glycine 0 CA--C 1.522 0.511 0 N-CA-C 111.267 -0.733 . . . . 0.0 111.267 174.405 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 148' ' ' PRO . . . . . 0.446 ' HD3' ' HA2' ' B' ' 147' ' ' GLY . 75.6 Cg_exo -57.43 151.65 51.99 Favored 'Trans proline' 0 N--CA 1.458 -0.609 0 C-N-CA 121.72 1.613 . . . . 0.0 111.248 -179.859 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 149' ' ' ARG . . . . . . . . . . . . . 74.7 ttt180 . . . . . 0 C--N 1.329 -0.316 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.135 175.327 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 88.7 tt0 . . . . . 0 C--O 1.232 0.137 0 CA-C-O 120.703 0.287 . . . . 0.0 111.193 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 68' ' ' MET . . . . . . . . . . . . . 62.0 ttp -74.34 122.23 22.6 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.227 179.391 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 78.9 ttt180 -144.87 148.78 34.33 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.259 -172.27 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 81.7 mt -78.7 138.72 38.4 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.15 173.77 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 71' ' ' GLU . . . . . 0.431 ' HB2' ' HB2' ' A' ' 74' ' ' ARG . 68.4 mm-40 -67.13 -175.61 0.46 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.284 165.276 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 87.9 tttt -39.96 -49.19 2.46 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.289 -0.414 . . . . 0.0 111.214 178.229 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 55.4 p-10 -149.93 36.38 0.69 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.207 174.321 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 74' ' ' ARG . . . . . 0.431 ' HB2' ' HB2' ' A' ' 71' ' ' GLU . 87.6 mtm180 -141.05 174.35 10.6 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.264 -179.81 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 75' ' ' PHE . . . . . 0.429 ' HB3' ' O ' ' A' ' 147' ' ' GLY . 32.1 t80 -122.38 131.62 53.98 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.202 -178.97 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 96.7 p -142.57 164.31 30.47 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.315 -0.402 . . . . 0.0 111.322 174.738 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 77' ' ' VAL . . . . . 0.734 ' O ' HG13 ' A' ' 77' ' ' VAL . 9.8 p -155.71 108.53 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.419 0 CA-C-N 116.33 -0.396 . . . . 0.0 111.234 178.205 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 74.2 m-80 -92.36 117.6 30.08 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.149 -178.843 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 81.8 mt -118.11 150.8 38.74 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.197 -171.401 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 65.7 t0 -86.67 112.73 21.91 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.255 -0.429 . . . . 0.0 111.172 177.138 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 27.0 m -136.25 22.35 0.9 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.291 -177.327 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 88.8 tttt -68.54 -41.7 79.48 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.176 -174.191 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 17.9 p-80 -79.11 -12.96 60.01 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.179 -175.978 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 84' ' ' PHE . . . . . . . . . . . . . 21.5 m-30 -72.61 152.92 41.51 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.251 -0.432 . . . . 0.0 111.264 177.12 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 85' ' ' SER . . . . . 0.445 ' O ' ' N ' ' A' ' 89' ' ' LEU . 72.6 m -100.36 147.81 34.06 Favored Pre-proline 0 C--N 1.328 -0.329 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.273 172.219 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 71.3 Cg_exo -54.22 -32.8 72.48 Favored 'Trans proline' 0 N--CA 1.458 -0.575 0 C-N-CA 121.766 1.644 . . . . 0.0 111.129 177.544 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 99.0 mt-10 -83.24 -19.39 36.5 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.309 -0.405 . . . . 0.0 111.194 -178.816 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 94.8 mt-10 -104.83 -11.49 16.75 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.333 -0.394 . . . . 0.0 111.226 -179.865 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 89' ' ' LEU . . . . . 0.445 ' N ' ' O ' ' A' ' 85' ' ' SER . 46.7 tp -97.29 113.35 24.96 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.292 -175.118 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 97.5 mttt -112.31 147.09 37.05 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.19 174.376 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 91' ' ' VAL . . . . . 0.499 ' O ' HG13 ' A' ' 91' ' ' VAL . 6.8 p -131.1 114.68 27.28 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.383 0 CA-C-N 116.067 -0.515 . . . . 0.0 111.199 173.752 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 99.4 mttt -132.65 169.58 16.45 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.234 -172.816 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 34.1 m -124.8 161.54 28.26 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.211 168.153 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 94' ' ' LEU . . . . . 0.415 ' HB3' ' HB ' ' A' ' 97' ' ' VAL . 46.7 tp -141.58 82.82 1.83 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.258 177.269 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 79.52 -105.65 2.31 Favored Glycine 0 CA--C 1.523 0.536 0 N-CA-C 111.206 -0.758 . . . . 0.0 111.206 -176.656 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 79.6 m-20 -90.4 -14.26 33.3 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.849 0.357 . . . . 0.0 111.203 169.665 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 97' ' ' VAL . . . . . 0.557 ' HA ' ' HA ' ' A' ' 123' ' ' ARG . 61.7 t -79.43 145.39 9.43 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.284 -173.757 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 98' ' ' ILE . . . . . . . . . . . . . 76.0 mt -110.03 82.79 0.64 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.377 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.252 168.194 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 84.8 tt0 -77.92 92.52 4.29 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.239 -177.322 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 100' ' ' VAL . . . . . 0.549 ' HB ' ' HB2' ' A' ' 120' ' ' ARG . 59.7 t -79.22 95.06 1.91 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.179 173.736 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 101' ' ' HIS . . . . . 0.469 ' O ' ' CD2' ' A' ' 101' ' ' HIS . 6.3 t-160 -89.53 68.69 7.81 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.199 -170.314 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . -85.08 167.41 41.68 Favored Glycine 0 CA--C 1.523 0.582 0 N-CA-C 111.205 -0.758 . . . . 0.0 111.205 179.111 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 103' ' ' LYS . . . . . 0.416 ' CB ' ' HA ' ' A' ' 117' ' ' GLU . 61.4 pttt -167.3 148.04 5.53 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.764 0.316 . . . . 0.0 111.157 169.963 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 104' ' ' HIS . . . . . . . . . . . . . 23.8 t-160 -123.0 108.89 13.43 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.205 168.98 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 88.6 mt-10 -93.95 162.73 13.78 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.233 -179.992 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 94.9 mt-10 48.19 57.48 6.09 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.219 -175.428 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 107' ' ' ARG . . . . . 0.421 ' HD3' HD11 ' A' ' 114' ' ' ILE . 72.8 ttt-85 -104.63 92.0 4.1 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.195 -168.506 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 108' ' ' GLN . . . . . . . . . . . . . 68.4 tp60 -41.05 118.98 1.08 Allowed 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.201 176.966 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 6.2 t0 -116.95 -169.98 1.75 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.105 179.369 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 78.6 mm-40 -83.28 -15.95 48.16 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.151 177.932 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 111' ' ' HIS . . . . . 0.426 ' HB2' ' CZ ' ' B' ' 122' ' ' TYR . 99.0 m-70 -105.55 -16.09 14.81 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.218 179.779 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 167.09 -108.51 0.31 Allowed Glycine 0 CA--C 1.524 0.602 0 N-CA-C 111.189 -0.764 . . . . 0.0 111.189 179.576 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 113' ' ' PHE . . . . . . . . . . . . . 35.5 p90 -150.22 158.03 43.72 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.809 0.338 . . . . 0.0 111.187 159.497 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 114' ' ' ILE . . . . . 0.421 HD11 ' HD3' ' A' ' 107' ' ' ARG . 44.8 pt -129.27 165.3 29.53 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.297 -171.795 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 115' ' ' SER . . . . . 0.519 ' HB3' ' HB2' ' B' ' 119' ' ' HIS . 12.7 t -123.22 115.44 21.74 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.226 164.345 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 116' ' ' ARG . . . . . . . . . . . . . 44.3 ttp180 -119.27 102.49 8.73 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.213 -166.544 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 117' ' ' GLU . . . . . 0.416 ' HA ' ' CB ' ' A' ' 103' ' ' LYS . 86.8 tt0 -105.66 129.29 53.92 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.174 -171.298 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 118' ' ' PHE . . . . . 0.408 ' HB3' ' HG3' ' A' ' 120' ' ' ARG . 68.1 m-85 -108.84 151.78 25.78 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.226 -172.46 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 119' ' ' HIS . . . . . 0.507 ' HB2' ' HB3' ' B' ' 115' ' ' SER . 26.6 m80 -133.09 70.35 1.47 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.158 162.628 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 120' ' ' ARG . . . . . 0.549 ' HB2' ' HB ' ' A' ' 100' ' ' VAL . 99.3 mtt180 -74.58 81.08 1.99 Allowed 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.11 -0.495 . . . . 0.0 111.266 -161.283 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 121' ' ' LYS . . . . . . . . . . . . . 95.1 mttt -75.65 84.61 2.67 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.079 -0.51 . . . . 0.0 111.273 -177.574 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 122' ' ' TYR . . . . . 0.449 ' CZ ' ' HB3' ' A' ' 120' ' ' ARG . 16.2 m-85 -97.97 107.33 19.79 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.275 176.595 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 123' ' ' ARG . . . . . 0.557 ' HA ' ' HA ' ' A' ' 97' ' ' VAL . 59.6 ttt180 -88.11 143.11 27.25 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.123 -161.032 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 124' ' ' ILE . . . . . . . . . . . . . 78.7 mt -73.78 125.01 90.73 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.183 -170.583 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 125' ' ' PRO . . . . . . . . . . . . . 84.3 Cg_exo -50.01 140.83 31.17 Favored 'Trans proline' 0 C--N 1.328 -0.522 0 C-N-CA 121.741 1.627 . . . . 0.0 111.093 174.27 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . -58.0 -21.51 45.2 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.174 -171.676 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 127' ' ' ASP . . . . . . . . . . . . . 93.2 m-20 -100.64 25.91 7.32 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.221 -176.569 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 128' ' ' VAL . . . . . 0.444 ' HA ' ' HA ' ' A' ' 149' ' ' ARG . 98.8 t -129.26 134.84 63.12 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.368 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.115 178.901 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 64.0 t0 -87.4 115.92 64.4 Favored Pre-proline 0 C--N 1.328 -0.333 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.238 -175.697 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 130' ' ' PRO . . . . . . . . . . . . . 79.8 Cg_exo -55.33 -33.27 84.63 Favored 'Trans proline' 0 N--CA 1.458 -0.611 0 C-N-CA 121.75 1.634 . . . . 0.0 111.173 -177.015 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 131' ' ' LEU . . . . . . . . . . . . . 97.9 mt -85.66 4.98 34.0 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.22 -168.379 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 132' ' ' THR . . . . . . . . . . . . . 73.1 p -115.33 4.17 14.36 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.177 178.162 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 133' ' ' ILE . . . . . . . . . . . . . 95.5 mt -94.04 126.19 46.5 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.152 -175.396 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 134' ' ' THR . . . . . . . . . . . . . 93.6 m -128.05 130.72 48.71 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.237 179.152 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 135' ' ' SER . . . . . 0.443 ' HA ' ' HA ' ' A' ' 145' ' ' VAL . 85.8 p -83.1 154.54 24.3 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.13 -179.532 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 136' ' ' SER . . . . . . . . . . . . . 43.8 t -146.9 132.49 18.77 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.145 176.486 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 137' ' ' LEU . . . . . . . . . . . . . 63.5 tp -108.47 126.26 52.71 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.157 -178.867 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 138' ' ' SER . . . . . . . . . . . . . 65.1 p -92.96 165.1 13.03 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.118 -178.797 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 139' ' ' SER . . . . . . . . . . . . . 87.5 p -73.79 -14.38 61.1 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.136 -0.483 . . . . 0.0 111.236 177.058 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 140' ' ' ASP . . . . . . . . . . . . . 92.9 m-20 -85.75 -5.07 59.3 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.184 178.037 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 141' ' ' GLY . . . . . . . . . . . . . . . 84.42 39.73 8.85 Favored Glycine 0 CA--C 1.523 0.555 0 N-CA-C 111.128 -0.789 . . . . 0.0 111.128 179.216 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 142' ' ' VAL . . . . . . . . . . . . . 78.6 t -116.23 121.28 67.18 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-O 120.785 0.326 . . . . 0.0 111.206 175.446 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 143' ' ' LEU . . . . . . . . . . . . . 61.5 tp -97.31 124.99 41.61 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.23 177.587 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 144' ' ' THR . . . . . . . . . . . . . 88.9 m -120.54 107.38 12.78 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.176 -177.557 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 145' ' ' VAL . . . . . 0.443 ' HA ' ' HA ' ' A' ' 135' ' ' SER . 46.8 t -103.25 99.65 8.83 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.166 -179.317 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 146' ' ' ASP . . . . . 0.549 ' C ' ' OD1' ' A' ' 146' ' ' ASP . 9.8 t0 -137.22 115.44 11.72 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.139 -155.877 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 147' ' ' GLY . . . . . 0.429 ' O ' ' HB3' ' A' ' 75' ' ' PHE . . . -131.85 156.79 22.1 Favored Glycine 0 CA--C 1.523 0.561 0 N-CA-C 111.182 -0.767 . . . . 0.0 111.182 168.448 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 148' ' ' PRO . . . . . . . . . . . . . 58.0 Cg_endo -70.06 163.37 38.75 Favored 'Trans proline' 0 N--CA 1.456 -0.677 0 C-N-CA 121.72 1.614 . . . . 0.0 111.259 -179.864 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 149' ' ' ARG . . . . . 0.444 ' HA ' ' HA ' ' A' ' 128' ' ' VAL . 82.1 mtp180 . . . . . 0 C--N 1.33 -0.277 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.13 -177.12 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 67' ' ' GLU . . . . . . . . . . . . . 88.7 tt0 . . . . . 0 C--O 1.23 0.058 0 CA-C-O 120.827 0.346 . . . . 0.0 111.083 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' B' B ' 68' ' ' MET . . . . . . . . . . . . . 62.1 ttp -74.4 122.29 22.75 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.129 179.414 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 69' ' ' ARG . . . . . . . . . . . . . 78.9 ttt180 -145.05 148.7 33.99 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.22 -172.204 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 70' ' ' LEU . . . . . . . . . . . . . 82.0 mt -78.74 138.71 38.37 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.275 173.769 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 71' ' ' GLU . . . . . 0.442 ' HB2' ' HB2' ' B' ' 74' ' ' ARG . 68.5 mm-40 -67.11 -175.6 0.46 Allowed 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.3 165.373 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 72' ' ' LYS . . . . . . . . . . . . . 87.9 tttt -39.91 -49.28 2.43 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.264 178.249 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 73' ' ' ASP . . . . . . . . . . . . . 55.4 p-10 -149.76 36.34 0.71 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.216 174.239 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 74' ' ' ARG . . . . . 0.442 ' HB2' ' HB2' ' B' ' 71' ' ' GLU . 87.5 mtm180 -140.89 174.31 10.64 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.256 -179.709 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 75' ' ' PHE . . . . . 0.434 ' HB3' ' O ' ' B' ' 147' ' ' GLY . 32.8 t80 -122.45 131.67 53.98 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.206 -179.126 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 76' ' ' SER . . . . . . . . . . . . . 95.2 p -142.59 164.29 30.51 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.296 174.717 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 77' ' ' VAL . . . . . 0.712 ' O ' HG13 ' B' ' 77' ' ' VAL . 9.7 p -155.69 108.58 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.221 178.178 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 78' ' ' ASN . . . . . . . . . . . . . 74.3 m-80 -92.45 117.67 30.17 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.19 -178.895 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 79' ' ' LEU . . . . . . . . . . . . . 82.7 mt -118.07 150.85 38.63 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.157 -171.42 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 80' ' ' ASP . . . . . . . . . . . . . 65.7 t0 -86.67 112.72 21.91 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.145 177.09 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 81' ' ' VAL . . . . . . . . . . . . . 27.2 m -136.3 22.44 0.89 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.362 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.274 -177.372 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 82' ' ' LYS . . . . . . . . . . . . . 88.8 tttt -68.55 -41.71 79.44 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.094 -0.503 . . . . 0.0 111.221 -174.223 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 83' ' ' HIS . . . . . . . . . . . . . 17.9 p-80 -79.08 -12.95 60.02 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.198 -176.065 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 84' ' ' PHE . . . . . . . . . . . . . 21.4 m-30 -72.71 153.15 41.3 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.188 177.181 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 85' ' ' SER . . . . . 0.429 ' O ' ' N ' ' B' ' 89' ' ' LEU . 72.4 m -100.45 147.86 34.16 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.167 172.319 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 86' ' ' PRO . . . . . . . . . . . . . 71.0 Cg_exo -54.32 -32.75 73.24 Favored 'Trans proline' 0 N--CA 1.459 -0.535 0 C-N-CA 121.644 1.563 . . . . 0.0 111.166 177.5 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 87' ' ' GLU . . . . . . . . . . . . . 99.0 mt-10 -83.32 -19.13 36.77 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.224 -178.825 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 88' ' ' GLU . . . . . . . . . . . . . 94.9 mt-10 -105.12 -11.49 16.56 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.289 -0.414 . . . . 0.0 111.055 -179.696 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 89' ' ' LEU . . . . . 0.429 ' N ' ' O ' ' B' ' 85' ' ' SER . 47.1 tp -97.23 113.25 24.84 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.327 -175.171 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 90' ' ' LYS . . . . . . . . . . . . . 97.5 mttt -112.42 147.05 37.29 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.322 -0.399 . . . . 0.0 111.261 174.337 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 91' ' ' VAL . . . . . 0.491 ' O ' HG13 ' B' ' 91' ' ' VAL . 6.7 p -131.02 114.65 27.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.307 173.803 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 92' ' ' LYS . . . . . . . . . . . . . 99.3 mttt -132.63 169.58 16.43 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.318 -0.401 . . . . 0.0 111.204 -172.725 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 93' ' ' VAL . . . . . . . . . . . . . 34.1 m -124.69 161.58 27.95 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.188 168.146 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 94' ' ' LEU . . . . . 0.429 ' HB3' ' HB ' ' B' ' 97' ' ' VAL . 47.3 tp -141.54 82.82 1.83 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.064 -0.516 . . . . 0.0 111.115 177.294 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 95' ' ' GLY . . . . . . . . . . . . . . . 79.51 -105.7 2.32 Favored Glycine 0 CA--C 1.522 0.519 0 N-CA-C 111.264 -0.734 . . . . 0.0 111.264 -176.593 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 96' ' ' ASP . . . . . . . . . . . . . 79.7 m-20 -90.42 -14.38 33.03 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.695 0.283 . . . . 0.0 111.123 169.697 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 97' ' ' VAL . . . . . 0.557 ' HA ' ' HA ' ' B' ' 123' ' ' ARG . 61.9 t -79.42 145.43 9.38 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.239 -173.725 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 98' ' ' ILE . . . . . . . . . . . . . 76.9 mt -110.1 83.11 0.65 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.148 168.14 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 99' ' ' GLU . . . . . . . . . . . . . 84.6 tt0 -77.98 92.31 4.31 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.245 -177.411 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 100' ' ' VAL . . . . . 0.574 ' HB ' ' HB2' ' B' ' 120' ' ' ARG . 59.7 t -79.12 95.03 1.87 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.241 173.708 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 101' ' ' HIS . . . . . 0.463 ' O ' ' CD2' ' B' ' 101' ' ' HIS . 6.3 t-160 -89.52 68.74 7.84 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.149 -170.297 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 102' ' ' GLY . . . . . . . . . . . . . . . -85.23 167.47 41.47 Favored Glycine 0 CA--C 1.525 0.671 0 N-CA-C 111.092 -0.803 . . . . 0.0 111.092 179.188 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 103' ' ' LYS . . . . . 0.422 ' CB ' ' HA ' ' B' ' 117' ' ' GLU . 61.5 pttt -167.4 147.92 5.41 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.787 0.327 . . . . 0.0 111.195 170.003 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 104' ' ' HIS . . . . . . . . . . . . . 23.8 t-160 -122.9 108.85 13.44 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.279 168.916 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 105' ' ' GLU . . . . . . . . . . . . . 88.4 mt-10 -93.92 162.69 13.8 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.185 -179.977 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 106' ' ' GLU . . . . . . . . . . . . . 94.8 mt-10 48.28 57.44 6.17 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.234 -175.429 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 107' ' ' ARG . . . . . 0.437 ' HD3' HD11 ' B' ' 114' ' ' ILE . 72.8 ttt-85 -104.62 91.94 4.08 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.245 -168.484 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 108' ' ' GLN . . . . . . . . . . . . . 68.5 tp60 -40.91 118.94 1.05 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.287 -0.415 . . . . 0.0 111.137 176.997 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 109' ' ' ASP . . . . . . . . . . . . . 6.1 t0 -116.91 -170.01 1.75 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.168 179.216 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 110' ' ' GLU . . . . . . . . . . . . . 78.5 mm-40 -83.17 -15.97 48.49 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.359 -0.382 . . . . 0.0 111.315 177.81 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 111' ' ' HIS . . . . . 0.425 ' HB2' ' CZ ' ' A' ' 122' ' ' TYR . 99.1 m-70 -105.57 -16.06 14.81 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.2 179.741 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 112' ' ' GLY . . . . . . . . . . . . . . . 167.13 -108.53 0.31 Allowed Glycine 0 CA--C 1.523 0.553 0 N-CA-C 111.182 -0.767 . . . . 0.0 111.182 179.553 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 113' ' ' PHE . . . . . . . . . . . . . 35.5 p90 -150.2 158.13 43.83 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.829 0.347 . . . . 0.0 111.184 159.428 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 114' ' ' ILE . . . . . 0.437 HD11 ' HD3' ' B' ' 107' ' ' ARG . 44.8 pt -129.35 165.19 29.9 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.196 -171.686 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 115' ' ' SER . . . . . 0.507 ' HB3' ' HB2' ' A' ' 119' ' ' HIS . 12.8 t -123.16 115.51 21.9 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.182 164.262 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 116' ' ' ARG . . . . . . . . . . . . . 44.3 ttp180 -119.28 102.47 8.72 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.186 -166.562 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 117' ' ' GLU . . . . . 0.422 ' HA ' ' CB ' ' B' ' 103' ' ' LYS . 86.8 tt0 -105.62 129.26 53.9 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.189 -171.307 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 118' ' ' PHE . . . . . 0.425 ' HB3' ' HG3' ' B' ' 120' ' ' ARG . 67.5 m-85 -108.85 151.77 25.8 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.302 -0.408 . . . . 0.0 111.266 -172.502 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 119' ' ' HIS . . . . . 0.519 ' HB2' ' HB3' ' A' ' 115' ' ' SER . 26.4 m80 -133.0 70.22 1.47 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.138 162.703 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 120' ' ' ARG . . . . . 0.574 ' HB2' ' HB ' ' B' ' 100' ' ' VAL . 99.3 mtt180 -74.56 81.06 1.98 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.198 -161.147 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 121' ' ' LYS . . . . . . . . . . . . . 95.0 mttt -75.79 84.7 2.76 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.166 -177.471 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 122' ' ' TYR . . . . . 0.438 ' CZ ' ' HB3' ' B' ' 120' ' ' ARG . 16.1 m-85 -97.99 107.38 19.84 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.292 176.524 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 123' ' ' ARG . . . . . 0.557 ' HA ' ' HA ' ' B' ' 97' ' ' VAL . 59.5 ttt180 -88.25 143.24 27.15 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.217 -160.998 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 124' ' ' ILE . . . . . . . . . . . . . 78.8 mt -73.85 125.03 90.66 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.177 -170.419 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 125' ' ' PRO . . . . . . . . . . . . . 86.1 Cg_exo -49.9 140.88 30.15 Favored 'Trans proline' 0 N--CA 1.459 -0.554 0 C-N-CA 121.688 1.592 . . . . 0.0 111.134 174.182 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 126' ' ' ALA . . . . . . . . . . . . . . . -58.1 -21.34 45.86 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.267 -171.739 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 127' ' ' ASP . . . . . . . . . . . . . 93.6 m-20 -100.72 25.78 7.52 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.18 -176.538 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 128' ' ' VAL . . . . . 0.445 ' HA ' ' HA ' ' B' ' 149' ' ' ARG . 98.2 t -129.24 134.87 63.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.219 178.791 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 129' ' ' ASP . . . . . . . . . . . . . 64.1 t0 -87.34 115.96 64.51 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.191 -175.571 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 130' ' ' PRO . . . . . . . . . . . . . 80.2 Cg_exo -55.36 -33.2 84.57 Favored 'Trans proline' 0 N--CA 1.458 -0.616 0 C-N-CA 121.697 1.598 . . . . 0.0 111.224 -177.089 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 131' ' ' LEU . . . . . . . . . . . . . 97.8 mt -85.67 4.96 34.13 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.181 -168.404 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 132' ' ' THR . . . . . . . . . . . . . 76.1 p -115.32 4.24 14.38 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.275 -0.42 . . . . 0.0 111.209 178.093 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 133' ' ' ILE . . . . . 0.404 ' HA ' ' HA3' ' B' ' 147' ' ' GLY . 95.2 mt -94.11 126.16 46.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.185 -175.462 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 134' ' ' THR . . . . . . . . . . . . . 93.3 m -127.98 130.73 48.85 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.261 179.081 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 135' ' ' SER . . . . . 0.442 ' HA ' ' HA ' ' B' ' 145' ' ' VAL . 85.5 p -83.07 154.58 24.32 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.008 -0.542 . . . . 0.0 111.175 -179.583 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 136' ' ' SER . . . . . . . . . . . . . 43.7 t -146.89 132.39 18.68 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.269 176.451 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 137' ' ' LEU . . . . . . . . . . . . . 63.6 tp -108.42 126.15 52.56 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.332 -0.394 . . . . 0.0 111.155 -178.778 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 138' ' ' SER . . . . . . . . . . . . . 63.5 p -92.89 165.26 12.98 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.166 -178.819 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 139' ' ' SER . . . . . . . . . . . . . 88.1 p -73.96 -14.33 61.02 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.033 -0.53 . . . . 0.0 111.115 177.184 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 140' ' ' ASP . . . . . . . . . . . . . 92.8 m-20 -85.84 -5.01 59.31 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.233 178.063 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 141' ' ' GLY . . . . . . . . . . . . . . . 84.31 39.72 8.94 Favored Glycine 0 CA--C 1.523 0.557 0 N-CA-C 111.171 -0.772 . . . . 0.0 111.171 179.139 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 142' ' ' VAL . . . . . . . . . . . . . 79.7 t -116.1 121.25 67.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-O 120.79 0.329 . . . . 0.0 111.197 175.437 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 143' ' ' LEU . . . . . . . . . . . . . 61.6 tp -97.27 125.05 41.58 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.189 177.539 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 144' ' ' THR . . . . . . . . . . . . . 89.0 m -120.47 107.18 12.57 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.239 -177.589 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 145' ' ' VAL . . . . . 0.442 ' HA ' ' HA ' ' B' ' 135' ' ' SER . 46.4 t -103.11 99.74 9.0 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.213 -179.335 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 146' ' ' ASP . . . . . 0.543 ' OD1' ' C ' ' B' ' 146' ' ' ASP . 9.7 t0 -137.4 115.47 11.62 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.293 -0.412 . . . . 0.0 111.141 -155.795 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 147' ' ' GLY . . . . . 0.434 ' O ' ' HB3' ' B' ' 75' ' ' PHE . . . -131.97 156.84 22.15 Favored Glycine 0 CA--C 1.524 0.639 0 N-CA-C 111.158 -0.777 . . . . 0.0 111.158 168.548 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 148' ' ' PRO . . . . . . . . . . . . . 57.7 Cg_endo -70.18 163.24 39.34 Favored 'Trans proline' 0 N--CA 1.458 -0.595 0 C-N-CA 121.655 1.57 . . . . 0.0 111.245 -179.808 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 149' ' ' ARG . . . . . 0.445 ' HA ' ' HA ' ' B' ' 128' ' ' VAL . 82.0 mtp180 . . . . . 0 C--N 1.331 -0.225 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.229 -177.133 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 97.0 mt-10 . . . . . 0 C--O 1.231 0.113 0 CA-C-O 120.788 0.328 . . . . 0.0 111.146 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 68' ' ' MET . . . . . . . . . . . . . 75.0 mtm -106.52 118.81 37.64 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.145 177.794 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 79.2 ttt180 -84.19 107.18 16.36 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.172 179.473 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 57.8 tp -106.93 97.17 6.98 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.231 175.36 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 71' ' ' GLU . . . . . 0.514 ' O ' ' C ' ' A' ' 72' ' ' LYS . 77.1 mm-40 -73.45 163.42 28.07 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.187 172.1 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 72' ' ' LYS . . . . . 0.514 ' C ' ' O ' ' A' ' 71' ' ' GLU . 88.1 tttt -28.19 -59.52 0.12 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.207 -179.388 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 52.4 p-10 -133.66 54.69 1.94 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.189 -179.044 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 80.3 ttt180 -161.51 125.85 3.39 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.117 171.876 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 75' ' ' PHE . . . . . . . . . . . . . 80.5 t80 -104.01 117.14 33.58 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.265 -177.889 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 33.5 t -127.22 141.1 51.82 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.19 -175.443 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 87.2 t -112.44 120.67 63.18 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.251 175.873 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 87.1 m-20 -90.76 132.47 35.82 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.293 -0.412 . . . . 0.0 111.292 175.455 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 79' ' ' LEU . . . . . 0.404 ' HB2' ' HB3' ' A' ' 143' ' ' LEU . 58.9 mt -134.05 142.65 47.66 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.206 -170.206 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 66.5 t0 -89.68 111.75 22.8 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.285 -0.416 . . . . 0.0 111.202 -175.543 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 81' ' ' VAL . . . . . 0.55 ' O ' HG12 ' A' ' 81' ' ' VAL . 53.0 t -119.37 -5.76 10.9 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.162 176.195 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 82' ' ' LYS . . . . . 0.496 ' C ' ' O ' ' A' ' 81' ' ' VAL . 87.6 tttt -27.47 -59.19 0.1 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.111 175.233 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 96.5 m-70 -82.72 -31.76 28.33 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.156 -175.053 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 84' ' ' PHE . . . . . 0.449 ' HB2' HG13 ' A' ' 81' ' ' VAL . 22.5 m-85 -71.51 151.52 43.84 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.28 -174.985 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 85' ' ' SER . . . . . 0.408 ' O ' ' HG ' ' A' ' 89' ' ' LEU . 70.2 m -99.21 137.71 20.44 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.028 174.594 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 81.9 Cg_exo -53.39 -34.32 70.62 Favored 'Trans proline' 0 N--CA 1.457 -0.618 0 C-N-CA 121.656 1.571 . . . . 0.0 111.178 177.214 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 99.3 mt-10 -78.87 -15.48 58.29 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.229 -0.442 . . . . 0.0 111.145 178.734 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 48.4 mt-10 -99.08 -13.22 19.92 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.106 177.815 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 89' ' ' LEU . . . . . 0.408 ' HG ' ' O ' ' A' ' 85' ' ' SER . 59.5 mt -72.44 132.52 44.01 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.319 -0.401 . . . . 0.0 111.196 178.148 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 98.7 mttt -122.18 45.55 2.32 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.154 170.662 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 90.1 t -66.37 120.35 13.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.139 -173.589 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 97.2 mttt -140.9 172.72 12.29 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.132 -168.913 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 33.4 m -123.71 164.99 20.81 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.063 -0.517 . . . . 0.0 111.213 167.567 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 94' ' ' LEU . . . . . 0.403 ' HB3' ' CG2' ' A' ' 97' ' ' VAL . 27.1 tp -144.45 71.21 1.3 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.22 177.646 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 82.74 -104.17 2.51 Favored Glycine 0 CA--C 1.523 0.58 0 N-CA-C 111.176 -0.769 . . . . 0.0 111.176 -179.378 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 48.6 p-10 -102.82 23.35 12.27 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 120.734 0.302 . . . . 0.0 111.164 -177.523 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 97' ' ' VAL . . . . . 0.415 HG21 ' HD3' ' A' ' 121' ' ' LYS . 27.5 m -134.26 162.77 38.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.276 175.195 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 98' ' ' ILE . . . . . 0.435 ' HB ' ' HB2' ' A' ' 122' ' ' TYR . 62.1 mt -119.4 91.07 1.72 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.4 0 CA-C-N 116.319 -0.401 . . . . 0.0 111.227 175.214 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 87.3 tt0 -71.88 83.38 0.93 Allowed 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.158 -179.011 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 100' ' ' VAL . . . . . . . . . . . . . 62.1 t -75.74 80.48 0.59 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.211 179.618 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 101' ' ' HIS . . . . . . . . . . . . . 64.5 t-80 -87.37 141.88 28.3 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.248 178.962 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 102' ' ' GLY . . . . . 0.418 ' O ' ' HB3' ' A' ' 103' ' ' LYS . . . -157.8 -175.1 28.34 Favored Glycine 0 CA--C 1.523 0.585 0 N-CA-C 111.173 -0.771 . . . . 0.0 111.173 -179.418 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 103' ' ' LYS . . . . . 0.418 ' HB3' ' O ' ' A' ' 102' ' ' GLY . 65.5 pttt -177.17 152.18 0.86 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.831 0.348 . . . . 0.0 111.081 169.295 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 104' ' ' HIS . . . . . . . . . . . . . 8.6 p-80 -120.73 153.02 37.54 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.08 -0.509 . . . . 0.0 111.223 161.729 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 97.3 mt-10 -133.44 150.77 51.75 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.166 179.745 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 81.5 mm-40 45.84 58.18 4.55 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.141 -0.482 . . . . 0.0 111.226 -179.612 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 107' ' ' ARG . . . . . 0.558 ' HB3' HG13 ' A' ' 114' ' ' ILE . 7.7 tpt180 -104.46 82.47 1.92 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.096 -171.355 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 108' ' ' GLN . . . . . . . . . . . . . 70.6 tp60 -59.62 123.45 16.93 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.119 179.98 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 44.3 p30 -133.59 -158.17 0.87 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.212 179.059 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 99.9 mt-10 -69.16 -23.06 63.9 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.295 -0.411 . . . . 0.0 111.21 -176.923 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 111' ' ' HIS . . . . . 0.408 ' HB3' ' CE2' ' B' ' 122' ' ' TYR . 71.0 m80 -129.21 68.19 1.42 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.235 -171.422 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 84.93 -154.32 29.09 Favored Glycine 0 CA--C 1.524 0.61 0 N-CA-C 111.173 -0.771 . . . . 0.0 111.173 -174.704 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 113' ' ' PHE . . . . . 0.401 ' CD1' ' C ' ' A' ' 113' ' ' PHE . 3.0 p90 -121.06 150.22 41.52 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.768 0.318 . . . . 0.0 111.159 162.305 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 114' ' ' ILE . . . . . 0.558 HG13 ' HB3' ' A' ' 107' ' ' ARG . 37.4 pt -119.96 150.87 22.52 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.124 -175.248 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 42.7 t -142.86 108.01 4.97 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.227 174.835 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 116' ' ' ARG . . . . . . . . . . . . . 72.4 mtp180 -130.28 137.91 50.22 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.208 -165.311 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 72.9 mm-40 -85.12 161.74 19.54 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.189 168.536 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 118' ' ' PHE . . . . . . . . . . . . . 29.1 t80 -139.96 141.16 36.45 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.225 -178.676 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 119' ' ' HIS . . . . . 0.4 ' O ' ' CG ' ' A' ' 119' ' ' HIS . 15.7 t-160 -162.53 60.95 0.21 Allowed 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.31 -0.404 . . . . 0.0 111.265 -172.602 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 40.4 ttm180 -89.88 103.67 16.3 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.248 178.824 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 121' ' ' LYS . . . . . 0.415 ' HD3' HG21 ' A' ' 97' ' ' VAL . 41.1 ttmt -96.47 106.89 19.21 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.299 -178.399 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 122' ' ' TYR . . . . . 0.435 ' HB2' ' HB ' ' A' ' 98' ' ' ILE . 37.3 m-85 -76.23 160.79 29.34 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.282 175.814 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 123' ' ' ARG . . . . . . . . . . . . . 11.1 mpt_? -107.11 123.5 48.33 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.124 166.365 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 124' ' ' ILE . . . . . . . . . . . . . 90.7 mt -73.75 125.1 90.68 Favored Pre-proline 0 C--N 1.328 -0.347 0 CA-C-N 116.043 -0.526 . . . . 0.0 111.274 -175.18 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 125' ' ' PRO . . . . . . . . . . . . . 78.7 Cg_exo -52.06 144.14 38.45 Favored 'Trans proline' 0 N--CA 1.457 -0.633 0 C-N-CA 121.768 1.645 . . . . 0.0 111.23 175.009 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . -58.02 -22.88 51.83 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.237 -177.544 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 127' ' ' ASP . . . . . . . . . . . . . 81.1 m-20 -97.67 9.23 43.07 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.196 -176.957 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 128' ' ' VAL . . . . . . . . . . . . . 98.3 t -112.29 122.84 67.3 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.278 170.874 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 60.1 t0 -85.33 122.11 73.72 Favored Pre-proline 0 C--N 1.33 -0.28 0 CA-C-N 116.091 -0.504 . . . . 0.0 111.253 176.794 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 130' ' ' PRO . . . . . 0.433 ' HA ' HD12 ' A' ' 133' ' ' ILE . 74.7 Cg_exo -50.25 -34.22 39.21 Favored 'Trans proline' 0 C--N 1.328 -0.539 0 C-N-CA 121.738 1.625 . . . . 0.0 111.192 -178.71 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 131' ' ' LEU . . . . . . . . . . . . . 95.7 mt -73.79 -22.39 59.84 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.282 -175.526 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 132' ' ' THR . . . . . . . . . . . . . 77.5 p -94.14 2.17 56.0 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.264 -177.264 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 133' ' ' ILE . . . . . 0.433 HD12 ' HA ' ' A' ' 130' ' ' PRO . 93.9 mt -85.11 122.6 38.42 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.262 177.972 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 134' ' ' THR . . . . . . . . . . . . . 60.9 p -109.73 168.35 9.48 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.307 -0.406 . . . . 0.0 111.105 175.989 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 135' ' ' SER . . . . . . . . . . . . . 35.7 t -144.56 135.69 25.19 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.265 -176.711 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 136' ' ' SER . . . . . . . . . . . . . 99.6 p -145.19 150.99 37.71 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.17 177.284 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 137' ' ' LEU . . . . . . . . . . . . . 56.7 tp -133.74 129.27 36.45 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.126 -172.833 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 138' ' ' SER . . . . . . . . . . . . . 60.0 p -88.33 166.65 14.14 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.128 177.931 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 139' ' ' SER . . . . . . . . . . . . . 89.4 p -73.95 -13.16 60.84 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.181 177.308 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 140' ' ' ASP . . . . . . . . . . . . . 92.7 m-20 -84.9 -8.56 58.72 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.062 177.878 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 141' ' ' GLY . . . . . . . . . . . . . . . 89.97 31.16 11.32 Favored Glycine 0 CA--C 1.524 0.607 0 N-CA-C 111.21 -0.756 . . . . 0.0 111.21 -179.772 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 142' ' ' VAL . . . . . . . . . . . . . 66.6 t -99.61 104.87 16.64 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.364 0 CA-C-O 120.802 0.334 . . . . 0.0 111.134 174.488 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 143' ' ' LEU . . . . . 0.404 ' HB3' ' HB2' ' A' ' 79' ' ' LEU . 56.3 tp -102.52 126.71 49.67 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.19 -177.807 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 144' ' ' THR . . . . . . . . . . . . . 93.6 m -122.97 117.38 25.38 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.175 -176.669 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 145' ' ' VAL . . . . . . . . . . . . . 57.4 t -121.03 113.4 39.58 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.101 177.75 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 146' ' ' ASP . . . . . . . . . . . . . 9.9 p-10 -142.75 134.91 27.35 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.233 -159.437 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 147' ' ' GLY . . . . . . . . . . . . . . . -123.97 105.12 0.87 Allowed Glycine 0 CA--C 1.523 0.553 0 N-CA-C 111.262 -0.735 . . . . 0.0 111.262 173.152 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 148' ' ' PRO . . . . . 0.415 ' O ' ' C ' ' A' ' 149' ' ' ARG . 87.5 Cg_exo -66.43 -21.73 53.18 Favored 'Trans proline' 0 N--CA 1.458 -0.6 0 C-N-CA 121.688 1.592 . . . . 0.0 111.251 -162.803 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 149' ' ' ARG . . . . . 0.415 ' C ' ' O ' ' A' ' 148' ' ' PRO . 72.1 ttt180 . . . . . 0 C--N 1.329 -0.298 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.193 -172.197 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 67' ' ' GLU . . . . . . . . . . . . . 97.1 mt-10 . . . . . 0 CA--C 1.524 -0.057 0 CA-C-O 120.849 0.357 . . . . 0.0 111.149 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' B' B ' 68' ' ' MET . . . . . . . . . . . . . 75.0 mtm -106.58 118.74 37.47 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.146 177.897 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 69' ' ' ARG . . . . . . . . . . . . . 79.2 ttt180 -84.16 107.28 16.39 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.178 179.418 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 70' ' ' LEU . . . . . . . . . . . . . 57.6 tp -106.97 97.14 6.95 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.248 175.289 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 71' ' ' GLU . . . . . 0.502 ' O ' ' C ' ' B' ' 72' ' ' LYS . 77.2 mm-40 -73.38 163.51 27.97 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.091 -0.504 . . . . 0.0 111.146 172.08 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 72' ' ' LYS . . . . . 0.502 ' C ' ' O ' ' B' ' 71' ' ' GLU . 88.0 tttt -28.19 -59.64 0.12 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.19 -179.436 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 73' ' ' ASP . . . . . . . . . . . . . 52.3 p-10 -133.61 54.9 1.92 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.266 -0.425 . . . . 0.0 111.136 -179.101 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 74' ' ' ARG . . . . . . . . . . . . . 80.3 ttt180 -161.63 125.74 3.32 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.189 171.847 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 75' ' ' PHE . . . . . . . . . . . . . 80.5 t80 -103.99 117.21 33.75 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.17 -177.741 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 76' ' ' SER . . . . . . . . . . . . . 33.4 t -127.34 141.13 51.78 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.219 -175.513 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 77' ' ' VAL . . . . . . . . . . . . . 87.1 t -112.58 120.77 63.52 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.121 176.021 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 78' ' ' ASN . . . . . . . . . . . . . 87.1 m-20 -90.86 132.53 35.84 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.18 -0.463 . . . . 0.0 111.208 175.547 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 79' ' ' LEU . . . . . 0.404 ' HB2' ' HB3' ' B' ' 143' ' ' LEU . 58.3 mt -134.15 142.55 47.5 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.182 -170.179 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 80' ' ' ASP . . . . . . . . . . . . . 66.6 t0 -89.56 111.78 22.79 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.268 -175.577 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 81' ' ' VAL . . . . . 0.54 HG12 ' O ' ' B' ' 81' ' ' VAL . 54.6 t -119.25 -6.02 11.05 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.291 176.2 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 82' ' ' LYS . . . . . 0.482 ' C ' ' O ' ' B' ' 81' ' ' VAL . 87.6 tttt -27.54 -59.03 0.1 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.148 175.36 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 83' ' ' HIS . . . . . . . . . . . . . 96.6 m-70 -82.72 -31.74 28.33 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.947 0.403 . . . . 0.0 111.279 -175.181 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 84' ' ' PHE . . . . . 0.444 ' HB2' HG13 ' B' ' 81' ' ' VAL . 22.5 m-85 -71.49 151.5 43.87 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.103 -174.95 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 85' ' ' SER . . . . . 0.406 ' O ' ' HG ' ' B' ' 89' ' ' LEU . 69.0 m -99.09 137.68 20.48 Favored Pre-proline 0 C--N 1.331 -0.233 0 CA-C-N 116.121 -0.491 . . . . 0.0 111.262 174.302 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 86' ' ' PRO . . . . . . . . . . . . . 82.1 Cg_exo -53.37 -34.46 71.03 Favored 'Trans proline' 0 N--CA 1.457 -0.652 0 C-N-CA 121.788 1.659 . . . . 0.0 111.063 177.286 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 87' ' ' GLU . . . . . . . . . . . . . 99.2 mt-10 -78.68 -15.53 58.37 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.308 -0.405 . . . . 0.0 111.207 178.664 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 88' ' ' GLU . . . . . . . . . . . . . 48.3 mt-10 -98.99 -13.25 19.99 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.233 177.8 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 89' ' ' LEU . . . . . 0.406 ' HG ' ' O ' ' B' ' 85' ' ' SER . 58.3 mt -72.58 132.48 43.83 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.191 178.165 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 90' ' ' LYS . . . . . . . . . . . . . 98.6 mttt -122.01 45.46 2.33 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.103 -0.499 . . . . 0.0 111.305 170.67 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 91' ' ' VAL . . . . . . . . . . . . . 90.3 t -66.34 120.25 13.11 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.139 -173.464 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 92' ' ' LYS . . . . . . . . . . . . . 97.2 mttt -140.89 172.74 12.26 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.244 -168.965 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 93' ' ' VAL . . . . . . . . . . . . . 33.3 m -123.65 164.97 20.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.278 167.591 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 94' ' ' LEU . . . . . 0.404 ' HB3' ' CG2' ' B' ' 97' ' ' VAL . 27.3 tp -144.45 71.02 1.3 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.181 177.764 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 95' ' ' GLY . . . . . . . . . . . . . . . 82.77 -104.15 2.52 Favored Glycine 0 CA--C 1.523 0.586 0 N-CA-C 111.207 -0.757 . . . . 0.0 111.207 -179.395 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 96' ' ' ASP . . . . . . . . . . . . . 48.7 p-10 -102.78 23.39 12.18 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.776 0.322 . . . . 0.0 111.158 -177.555 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 97' ' ' VAL . . . . . 0.404 ' CG2' ' HB3' ' B' ' 94' ' ' LEU . 27.6 m -134.35 162.84 38.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.333 -0.394 . . . . 0.0 111.187 175.151 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 98' ' ' ILE . . . . . 0.45 ' HB ' ' HB2' ' B' ' 122' ' ' TYR . 62.8 mt -119.55 91.08 1.72 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.131 175.359 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 99' ' ' GLU . . . . . . . . . . . . . 87.3 tt0 -71.86 83.38 0.92 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.103 -179.002 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 100' ' ' VAL . . . . . . . . . . . . . 61.8 t -75.78 80.62 0.6 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.211 179.592 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 101' ' ' HIS . . . . . . . . . . . . . 64.0 t-80 -87.37 141.83 28.34 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.322 178.887 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 102' ' ' GLY . . . . . 0.421 ' O ' ' HB3' ' B' ' 103' ' ' LYS . . . -157.77 -175.04 28.24 Favored Glycine 0 CA--C 1.523 0.583 0 N-CA-C 111.145 -0.782 . . . . 0.0 111.145 -179.423 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 103' ' ' LYS . . . . . 0.421 ' HB3' ' O ' ' B' ' 102' ' ' GLY . 65.4 pttt -177.2 152.23 0.86 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.822 0.344 . . . . 0.0 111.129 169.317 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 104' ' ' HIS . . . . . . . . . . . . . 8.7 p-80 -120.85 153.03 37.67 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.251 161.754 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 105' ' ' GLU . . . . . . . . . . . . . 97.3 mt-10 -133.44 150.83 51.75 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.181 179.781 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 106' ' ' GLU . . . . . . . . . . . . . 81.5 mm-40 45.74 58.21 4.48 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.227 -179.606 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 107' ' ' ARG . . . . . 0.545 ' HB3' HG13 ' B' ' 114' ' ' ILE . 7.7 tpt180 -104.37 82.28 1.91 Allowed 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.182 -171.357 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 108' ' ' GLN . . . . . . . . . . . . . 70.7 tp60 -59.55 123.23 16.2 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.209 -179.968 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 109' ' ' ASP . . . . . . . . . . . . . 44.7 p30 -133.4 -158.2 0.87 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.134 -0.484 . . . . 0.0 111.289 179.05 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 110' ' ' GLU . . . . . . . . . . . . . 99.9 mt-10 -68.96 -23.14 64.1 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.327 -0.397 . . . . 0.0 111.177 -176.931 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 111' ' ' HIS . . . . . . . . . . . . . 71.2 m80 -129.24 68.03 1.42 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.162 -171.217 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 112' ' ' GLY . . . . . . . . . . . . . . . 85.07 -154.31 28.89 Favored Glycine 0 CA--C 1.524 0.649 0 N-CA-C 111.189 -0.765 . . . . 0.0 111.189 -174.755 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 113' ' ' PHE . . . . . . . . . . . . . 3.0 p90 -121.06 150.36 41.3 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 120.863 0.363 . . . . 0.0 111.129 162.156 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 114' ' ' ILE . . . . . 0.545 HG13 ' HB3' ' B' ' 107' ' ' ARG . 37.5 pt -120.05 150.88 22.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.185 -175.323 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 115' ' ' SER . . . . . . . . . . . . . 42.6 t -142.85 107.91 4.95 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.187 174.924 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 116' ' ' ARG . . . . . . . . . . . . . 72.3 mtp180 -130.22 137.92 50.3 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.075 -0.511 . . . . 0.0 111.235 -165.429 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 117' ' ' GLU . . . . . . . . . . . . . 72.9 mm-40 -85.06 161.8 19.57 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.218 168.532 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 118' ' ' PHE . . . . . . . . . . . . . 29.3 t80 -140.06 141.11 36.26 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.229 -0.442 . . . . 0.0 111.211 -178.684 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 119' ' ' HIS . . . . . . . . . . . . . 15.6 t-160 -162.42 61.01 0.22 Allowed 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.197 -172.595 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 120' ' ' ARG . . . . . . . . . . . . . 40.4 ttm180 -89.93 103.61 16.26 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.192 178.884 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 121' ' ' LYS . . . . . 0.404 ' HD3' HG21 ' B' ' 97' ' ' VAL . 41.1 ttmt -96.48 107.02 19.36 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.232 -178.39 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 122' ' ' TYR . . . . . 0.45 ' HB2' ' HB ' ' B' ' 98' ' ' ILE . 37.5 m-85 -76.33 160.78 29.29 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.133 175.827 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 123' ' ' ARG . . . . . . . . . . . . . 11.1 mpt_? -107.06 123.62 48.48 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.133 166.259 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 124' ' ' ILE . . . . . . . . . . . . . 90.8 mt -73.91 125.26 90.42 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-N 116.086 -0.507 . . . . 0.0 111.06 -175.117 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 125' ' ' PRO . . . . . . . . . . . . . 77.9 Cg_exo -52.14 144.25 38.74 Favored 'Trans proline' 0 N--CA 1.458 -0.567 0 C-N-CA 121.778 1.652 . . . . 0.0 111.076 174.893 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 126' ' ' ALA . . . . . . . . . . . . . . . -58.15 -22.85 52.98 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.075 -0.511 . . . . 0.0 111.105 -177.535 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 127' ' ' ASP . . . . . . . . . . . . . 81.1 m-20 -97.58 9.18 43.15 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.292 -0.413 . . . . 0.0 111.223 -176.953 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 128' ' ' VAL . . . . . . . . . . . . . 98.5 t -112.32 122.7 67.06 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.304 170.986 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 129' ' ' ASP . . . . . . . . . . . . . 60.1 t0 -85.26 122.09 73.82 Favored Pre-proline 0 C--N 1.33 -0.275 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.215 176.796 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 130' ' ' PRO . . . . . 0.425 ' HA ' HD12 ' B' ' 133' ' ' ILE . 74.3 Cg_exo -50.3 -34.1 39.27 Favored 'Trans proline' 0 C--N 1.327 -0.573 0 C-N-CA 121.676 1.584 . . . . 0.0 111.147 -178.745 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 131' ' ' LEU . . . . . . . . . . . . . 95.7 mt -73.89 -22.38 59.73 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.249 -175.492 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 132' ' ' THR . . . . . . . . . . . . . 76.8 p -94.16 2.17 55.99 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.175 -177.215 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 133' ' ' ILE . . . . . 0.425 HD12 ' HA ' ' B' ' 130' ' ' PRO . 93.7 mt -85.05 122.45 38.22 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.231 177.974 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 134' ' ' THR . . . . . . . . . . . . . 62.6 p -109.72 168.48 9.38 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.343 -0.39 . . . . 0.0 111.112 175.896 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 135' ' ' SER . . . . . . . . . . . . . 35.2 t -144.6 135.7 25.13 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.191 -176.673 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 136' ' ' SER . . . . . . . . . . . . . 99.6 p -145.07 150.95 37.75 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.242 177.265 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 137' ' ' LEU . . . . . . . . . . . . . 56.7 tp -133.72 129.17 36.35 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.243 -172.889 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 138' ' ' SER . . . . . . . . . . . . . 59.0 p -88.23 166.55 14.27 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.266 177.949 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 139' ' ' SER . . . . . . . . . . . . . 89.0 p -73.78 -13.38 60.94 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.264 -0.426 . . . . 0.0 111.197 177.273 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 140' ' ' ASP . . . . . . . . . . . . . 92.7 m-20 -84.71 -8.58 58.8 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.295 177.822 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 141' ' ' GLY . . . . . . . . . . . . . . . 90.04 31.02 11.4 Favored Glycine 0 CA--C 1.523 0.569 0 N-CA-C 111.227 -0.749 . . . . 0.0 111.227 -179.858 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 142' ' ' VAL . . . . . . . . . . . . . 66.6 t -99.51 104.9 16.66 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-O 120.812 0.339 . . . . 0.0 111.175 174.537 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 143' ' ' LEU . . . . . 0.404 ' HB3' ' HB2' ' B' ' 79' ' ' LEU . 56.3 tp -102.6 126.67 49.76 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.197 -177.731 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 144' ' ' THR . . . . . . . . . . . . . 93.0 m -122.94 117.33 25.28 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.295 -176.721 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 145' ' ' VAL . . . . . . . . . . . . . 57.8 t -121.0 113.4 39.6 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.24 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.168 177.735 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 146' ' ' ASP . . . . . . . . . . . . . 9.9 p-10 -142.63 134.96 27.63 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.178 -159.419 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 147' ' ' GLY . . . . . . . . . . . . . . . -123.94 105.14 0.87 Allowed Glycine 0 CA--C 1.523 0.532 0 N-CA-C 111.253 -0.739 . . . . 0.0 111.253 173.106 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 148' ' ' PRO . . . . . 0.405 ' O ' ' C ' ' B' ' 149' ' ' ARG . 88.1 Cg_exo -66.52 -21.67 52.63 Favored 'Trans proline' 0 N--CA 1.458 -0.615 0 C-N-CA 121.76 1.64 . . . . 0.0 111.227 -162.784 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 149' ' ' ARG . . . . . 0.405 ' C ' ' O ' ' B' ' 148' ' ' PRO . 72.2 ttt180 . . . . . 0 C--N 1.328 -0.327 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.175 -172.215 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 88.4 tt0 . . . . . 0 N--CA 1.456 -0.138 0 CA-C-O 120.777 0.322 . . . . 0.0 111.197 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 68' ' ' MET . . . . . . . . . . . . . 1.9 pmm? -82.81 157.8 23.03 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.084 -0.507 . . . . 0.0 111.214 176.08 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 60.0 ttp180 -127.68 139.79 52.49 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.145 -178.208 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 55.8 mt -99.93 100.78 11.74 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.095 169.717 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 71' ' ' GLU . . . . . 0.548 ' O ' ' C ' ' A' ' 72' ' ' LYS . 95.8 mt-10 -68.38 -176.3 0.74 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.115 174.367 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 72' ' ' LYS . . . . . 0.548 ' C ' ' O ' ' A' ' 71' ' ' GLU . 88.0 tttt -27.15 -60.17 0.09 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.065 -168.516 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 58.7 p30 -142.54 26.78 1.74 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.159 -172.683 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 15.6 ptm180 -146.15 171.29 15.13 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.201 -172.01 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 75' ' ' PHE . . . . . . . . . . . . . 10.5 p90 -119.99 146.96 45.36 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.093 -0.503 . . . . 0.0 111.311 -179.054 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 36.2 t -139.37 121.3 15.57 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.138 179.819 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 96.9 t -99.47 110.62 27.07 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.372 0 CA-C-N 116.309 -0.405 . . . . 0.0 111.129 -174.36 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 77.0 m-20 -92.59 104.94 17.19 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.183 -179.732 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 86.3 mt -97.04 133.51 41.61 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.188 -173.531 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 67.4 t0 -83.55 104.47 13.7 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.235 174.54 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 34.6 m -131.72 3.77 1.81 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.411 0 CA-C-N 116.291 -0.413 . . . . 0.0 111.171 -171.746 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 88.4 tttt -47.32 -48.84 25.08 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.357 -0.383 . . . . 0.0 111.251 177.351 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 20.7 p-80 -77.29 -20.53 54.9 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.174 -174.667 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 84' ' ' PHE . . . . . . . . . . . . . 20.3 m-30 -72.26 145.25 48.04 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.215 178.481 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 85' ' ' SER . . . . . 0.446 ' O ' ' N ' ' A' ' 89' ' ' LEU . 72.3 m -100.29 148.82 35.43 Favored Pre-proline 0 C--N 1.328 -0.336 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.212 175.532 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 71.8 Cg_exo -54.19 -33.21 73.91 Favored 'Trans proline' 0 N--CA 1.458 -0.594 0 C-N-CA 121.674 1.583 . . . . 0.0 111.206 177.429 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 99.1 mt-10 -80.28 -18.17 50.07 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.294 -0.412 . . . . 0.0 111.203 -179.885 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 60.4 mt-10 -104.87 -13.61 15.77 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.248 178.978 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 89' ' ' LEU . . . . . 0.446 ' N ' ' O ' ' A' ' 85' ' ' SER . 58.6 tp -102.85 112.72 25.66 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.228 -169.196 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 98.3 mttt -119.53 81.47 1.73 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.214 178.648 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 86.1 t -90.75 127.57 43.12 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-N 116.311 -0.404 . . . . 0.0 111.069 177.374 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 87.7 tttt -149.67 128.77 12.72 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.168 -171.862 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 74.5 t -72.65 97.47 0.76 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.191 171.864 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 94' ' ' LEU . . . . . 0.473 ' HB3' HG23 ' A' ' 97' ' ' VAL . 59.8 tp -97.34 78.42 2.71 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.083 -0.508 . . . . 0.0 111.238 -162.014 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 70.3 -106.66 1.9 Allowed Glycine 0 CA--C 1.523 0.533 0 N-CA-C 111.282 -0.727 . . . . 0.0 111.282 175.483 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 49.6 p-10 -95.93 2.53 53.61 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.771 0.32 . . . . 0.0 111.196 -177.78 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 97' ' ' VAL . . . . . 0.516 ' HA ' ' HA ' ' A' ' 123' ' ' ARG . 31.9 m -128.7 175.12 10.89 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.079 -0.509 . . . . 0.0 111.203 172.479 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 98' ' ' ILE . . . . . 0.415 ' HB ' ' HB3' ' A' ' 122' ' ' TYR . 72.0 mt -116.97 92.22 2.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.118 174.579 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 83.0 tt0 -62.51 130.66 46.14 Favored 'General case' 0 C--N 1.328 -0.37 0 CA-C-N 116.294 -0.412 . . . . 0.0 111.216 -176.799 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 100' ' ' VAL . . . . . 0.491 ' HB ' ' HB2' ' A' ' 120' ' ' ARG . 28.7 t -119.43 91.77 1.93 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.258 166.563 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 101' ' ' HIS . . . . . . . . . . . . . 57.8 t-80 -103.05 64.75 0.85 Allowed 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.209 -171.842 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 102' ' ' GLY . . . . . 0.401 ' HA2' ' HA ' ' A' ' 89' ' ' LEU . . . -95.14 176.38 34.32 Favored Glycine 0 CA--C 1.523 0.533 0 N-CA-C 111.282 -0.727 . . . . 0.0 111.282 -175.436 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 103' ' ' LYS . . . . . 0.444 ' HB3' ' HA ' ' A' ' 117' ' ' GLU . 64.8 pttt -174.71 155.07 2.09 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.797 0.332 . . . . 0.0 111.124 169.241 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 104' ' ' HIS . . . . . 0.469 ' ND1' ' C ' ' A' ' 104' ' ' HIS . 0.3 OUTLIER -134.36 102.46 5.35 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.074 -0.512 . . . . 0.0 111.187 168.236 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 105' ' ' GLU . . . . . 0.417 ' O ' ' HB2' ' A' ' 106' ' ' GLU . 88.6 tt0 -81.45 144.44 31.38 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.184 179.581 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 106' ' ' GLU . . . . . 0.426 ' HA ' ' CD2' ' A' ' 113' ' ' PHE . 94.2 mt-10 63.27 52.96 2.31 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.18 -173.531 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 107' ' ' ARG . . . . . 0.457 ' HB3' HG13 ' A' ' 114' ' ' ILE . 60.3 ttt-85 -108.64 92.07 3.9 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.296 -0.411 . . . . 0.0 111.195 -174.17 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 108' ' ' GLN . . . . . . . . . . . . . 66.4 tt0 -58.39 120.33 8.57 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.237 177.656 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 53.1 p30 -160.36 -149.79 0.2 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.178 -173.089 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 88.5 tt0 -45.5 -67.36 0.29 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.176 -176.026 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 111' ' ' HIS . . . . . . . . . . . . . 98.0 m-70 -96.76 78.19 2.88 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.203 -175.006 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 112' ' ' GLY . . . . . 0.424 ' HA3' ' HA ' ' B' ' 122' ' ' TYR . . . 69.63 -111.85 4.11 Favored Glycine 0 CA--C 1.524 0.598 0 N-CA-C 111.218 -0.753 . . . . 0.0 111.218 -179.616 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 113' ' ' PHE . . . . . 0.426 ' CD2' ' HA ' ' A' ' 106' ' ' GLU . 46.7 p90 -138.3 153.92 49.02 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.814 0.34 . . . . 0.0 111.154 162.005 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 114' ' ' ILE . . . . . 0.656 ' C ' HD12 ' A' ' 114' ' ' ILE . 2.3 pp -120.69 164.85 16.77 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.16 -167.59 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 46.9 t -138.73 99.19 3.74 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.292 161.858 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 116' ' ' ARG . . . . . . . . . . . . . 89.1 mtm180 -112.83 111.47 22.26 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.238 -167.591 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 117' ' ' GLU . . . . . 0.454 ' HB3' ' HB3' ' B' ' 117' ' ' GLU . 86.3 tt0 -85.57 104.53 15.41 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.344 -0.389 . . . . 0.0 111.189 176.627 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 118' ' ' PHE . . . . . . . . . . . . . 74.4 m-85 -84.18 163.26 19.85 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.214 -173.86 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 119' ' ' HIS . . . . . . . . . . . . . 9.4 t-160 -163.6 62.45 0.17 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.067 178.902 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 120' ' ' ARG . . . . . 0.491 ' HB2' ' HB ' ' A' ' 100' ' ' VAL . 79.8 mtt-85 -84.53 103.2 13.46 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.222 -172.621 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 121' ' ' LYS . . . . . . . . . . . . . 97.2 mttt -85.6 85.6 7.41 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.221 175.393 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 122' ' ' TYR . . . . . 0.443 ' CD1' ' C ' ' A' ' 122' ' ' TYR . 4.7 t80 -81.39 109.86 16.28 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.296 -0.411 . . . . 0.0 111.186 179.382 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 123' ' ' ARG . . . . . 0.516 ' HA ' ' HA ' ' A' ' 97' ' ' VAL . 7.4 ttp180 -77.44 139.76 39.72 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.284 -159.998 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 124' ' ' ILE . . . . . . . . . . . . . 72.4 mt -89.49 133.59 34.28 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.294 -172.626 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 125' ' ' PRO . . . . . . . . . . . . . 75.1 Cg_exo -50.49 147.0 17.99 Favored 'Trans proline' 0 N--CA 1.458 -0.615 0 C-N-CA 121.661 1.574 . . . . 0.0 111.182 173.37 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . -61.99 -14.89 39.68 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.178 -177.104 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 127' ' ' ASP . . . . . . . . . . . . . 78.8 m-20 -99.68 -17.31 17.83 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.194 -175.421 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 128' ' ' VAL . . . . . . . . . . . . . 83.3 t -94.98 140.13 17.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.155 -178.826 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 85.6 m-20 -109.82 154.49 42.52 Favored Pre-proline 0 C--N 1.328 -0.327 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.204 179.084 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 130' ' ' PRO . . . . . . . . . . . . . 82.1 Cg_exo -53.19 -31.92 57.6 Favored 'Trans proline' 0 N--CA 1.458 -0.575 0 C-N-CA 121.739 1.626 . . . . 0.0 111.235 -179.882 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 131' ' ' LEU . . . . . . . . . . . . . 95.8 mt -81.76 -31.79 31.78 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.166 -174.777 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 132' ' ' THR . . . . . . . . . . . . . 82.2 p -72.47 -23.46 61.05 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.202 178.832 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 133' ' ' ILE . . . . . . . . . . . . . 93.6 mt -73.81 127.68 35.81 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.383 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.292 177.008 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 134' ' ' THR . . . . . . . . . . . . . 98.2 m -112.18 132.68 54.75 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.177 -178.804 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 135' ' ' SER . . . . . . . . . . . . . 30.2 t -111.72 130.41 55.79 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.219 -179.976 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 136' ' ' SER . . . . . . . . . . . . . 42.6 t -141.75 127.05 18.66 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.243 -177.764 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 137' ' ' LEU . . . . . . . . . . . . . 63.6 tp -98.99 128.68 45.18 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.287 -0.415 . . . . 0.0 111.167 -175.93 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 138' ' ' SER . . . . . . . . . . . . . 59.7 p -86.57 166.07 15.71 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.173 177.405 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 139' ' ' SER . . . . . . . . . . . . . 88.7 p -76.8 -11.22 59.8 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.23 178.74 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 140' ' ' ASP . . . . . . . . . . . . . 89.2 m-20 -90.04 -1.86 58.03 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.067 -0.515 . . . . 0.0 111.125 178.995 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 141' ' ' GLY . . . . . . . . . . . . . . . 83.78 35.8 15.26 Favored Glycine 0 CA--C 1.524 0.624 0 N-CA-C 111.275 -0.73 . . . . 0.0 111.275 179.507 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 142' ' ' VAL . . . . . . . . . . . . . 62.0 t -115.53 108.15 24.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-O 120.851 0.358 . . . . 0.0 111.129 174.252 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 143' ' ' LEU . . . . . . . . . . . . . 62.1 tp -91.48 110.15 21.46 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.204 -177.74 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 144' ' ' THR . . . . . . . . . . . . . 97.1 m -96.54 115.41 27.38 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.229 -174.579 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 145' ' ' VAL . . . . . . . . . . . . . 60.3 t -120.26 113.38 40.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.153 -179.319 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 146' ' ' ASP . . . . . 0.708 ' OD1' ' O ' ' A' ' 146' ' ' ASP . 32.4 p30 -141.43 130.12 22.83 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.166 -159.045 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 147' ' ' GLY . . . . . . . . . . . . . . . -114.06 158.05 14.56 Favored Glycine 0 CA--C 1.522 0.518 0 N-CA-C 111.189 -0.764 . . . . 0.0 111.189 174.437 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 148' ' ' PRO . . . . . . . . . . . . . 56.8 Cg_endo -85.21 -45.61 0.05 OUTLIER 'Trans proline' 0 N--CA 1.458 -0.605 0 C-N-CA 121.748 1.632 . . . . 0.0 111.279 -162.948 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 149' ' ' ARG . . . . . . . . . . . . . 84.3 mtp180 . . . . . 0 C--N 1.328 -0.345 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.229 -163.622 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' B' B ' 67' ' ' GLU . . . . . . . . . . . . . 88.4 tt0 . . . . . 0 N--CA 1.457 -0.116 0 CA-C-O 120.743 0.306 . . . . 0.0 111.164 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' B' B ' 68' ' ' MET . . . . . . . . . . . . . 1.9 pmm? -82.61 157.87 23.26 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.305 175.943 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 69' ' ' ARG . . . . . . . . . . . . . 60.0 ttp180 -127.74 139.81 52.45 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.096 -178.162 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 70' ' ' LEU . . . . . . . . . . . . . 55.5 mt -99.95 100.64 11.56 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.14 169.664 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 71' ' ' GLU . . . . . 0.56 ' O ' ' C ' ' B' ' 72' ' ' LYS . 95.7 mt-10 -68.11 -176.25 0.69 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.202 174.28 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 72' ' ' LYS . . . . . 0.56 ' C ' ' O ' ' B' ' 71' ' ' GLU . 88.0 tttt -27.29 -60.24 0.1 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.067 -168.446 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 73' ' ' ASP . . . . . . . . . . . . . 58.8 p30 -142.34 26.74 1.78 Allowed 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.173 -172.626 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 74' ' ' ARG . . . . . . . . . . . . . 15.6 ptm180 -146.3 171.29 15.21 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.234 -171.909 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 75' ' ' PHE . . . . . . . . . . . . . 10.6 p90 -120.07 146.92 45.46 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.214 -178.935 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 76' ' ' SER . . . . . . . . . . . . . 36.0 t -139.34 121.45 15.75 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.16 179.685 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 77' ' ' VAL . . . . . . . . . . . . . 94.4 t -99.59 110.72 27.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.156 -174.394 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 78' ' ' ASN . . . . . . . . . . . . . 77.1 m-20 -92.64 104.86 17.11 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.089 -0.505 . . . . 0.0 111.277 -179.771 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 79' ' ' LEU . . . . . . . . . . . . . 85.7 mt -96.91 133.65 41.27 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.224 -173.568 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 80' ' ' ASP . . . . . . . . . . . . . 67.4 t0 -83.65 104.65 13.94 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.185 174.558 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 81' ' ' VAL . . . . . . . . . . . . . 34.6 m -131.84 3.83 1.78 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.399 0 CA-C-N 116.307 -0.406 . . . . 0.0 111.235 -171.765 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 82' ' ' LYS . . . . . . . . . . . . . 88.3 tttt -47.37 -48.87 25.6 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.203 177.389 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 83' ' ' HIS . . . . . . . . . . . . . 20.8 p-80 -77.23 -20.54 55.11 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.2 -174.618 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 84' ' ' PHE . . . . . . . . . . . . . 20.3 m-30 -72.25 145.33 48.0 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.17 178.539 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 85' ' ' SER . . . . . 0.444 ' O ' ' N ' ' B' ' 89' ' ' LEU . 72.2 m -100.32 148.92 35.57 Favored Pre-proline 0 C--N 1.328 -0.342 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.207 175.422 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 86' ' ' PRO . . . . . 0.421 ' HD3' ' HA ' ' B' ' 85' ' ' SER . 71.9 Cg_exo -54.16 -33.3 73.91 Favored 'Trans proline' 0 N--CA 1.458 -0.587 0 C-N-CA 121.715 1.61 . . . . 0.0 111.215 177.415 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 87' ' ' GLU . . . . . . . . . . . . . 99.2 mt-10 -80.28 -18.09 50.3 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.249 -179.854 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 88' ' ' GLU . . . . . . . . . . . . . 60.3 mt-10 -104.92 -13.55 15.76 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.236 178.936 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 89' ' ' LEU . . . . . 0.444 ' N ' ' O ' ' B' ' 85' ' ' SER . 58.7 tp -102.82 112.79 25.75 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.258 -169.227 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 90' ' ' LYS . . . . . . . . . . . . . 98.4 mttt -119.67 81.42 1.72 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.139 178.724 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 91' ' ' VAL . . . . . . . . . . . . . 86.9 t -90.58 127.46 43.05 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.385 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.201 177.314 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 92' ' ' LYS . . . . . 0.401 ' O ' ' N ' ' B' ' 99' ' ' GLU . 87.8 tttt -149.67 128.65 12.64 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.214 -171.78 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 93' ' ' VAL . . . . . . . . . . . . . 73.2 t -72.53 97.49 0.75 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.258 171.862 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 94' ' ' LEU . . . . . 0.469 ' HB3' HG23 ' B' ' 97' ' ' VAL . 60.0 tp -97.44 78.42 2.68 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.202 -161.911 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 95' ' ' GLY . . . . . . . . . . . . . . . 70.22 -106.65 1.9 Allowed Glycine 0 CA--C 1.523 0.533 0 N-CA-C 111.294 -0.722 . . . . 0.0 111.294 175.575 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 96' ' ' ASP . . . . . . . . . . . . . 49.8 p-10 -95.81 2.39 53.76 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-O 120.789 0.328 . . . . 0.0 111.206 -177.765 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 97' ' ' VAL . . . . . 0.52 ' HA ' ' HA ' ' B' ' 123' ' ' ARG . 32.9 m -128.7 175.2 10.71 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.27 172.395 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 98' ' ' ILE . . . . . 0.41 ' HB ' ' HB3' ' B' ' 122' ' ' TYR . 72.0 mt -117.03 92.11 2.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.19 174.591 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 99' ' ' GLU . . . . . 0.401 ' N ' ' O ' ' B' ' 92' ' ' LYS . 82.5 tt0 -62.42 130.67 46.28 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.197 -176.73 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 100' ' ' VAL . . . . . 0.515 ' HB ' ' HB2' ' B' ' 120' ' ' ARG . 30.5 t -119.48 91.81 1.95 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.179 166.608 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 101' ' ' HIS . . . . . . . . . . . . . 57.8 t-80 -102.98 64.72 0.86 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.246 -171.933 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 102' ' ' GLY . . . . . . . . . . . . . . . -95.1 176.43 34.41 Favored Glycine 0 CA--C 1.522 0.529 0 N-CA-C 111.215 -0.754 . . . . 0.0 111.215 -175.433 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 103' ' ' LYS . . . . . 0.448 ' HB3' ' HA ' ' B' ' 117' ' ' GLU . 64.8 pttt -174.76 154.94 2.04 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.769 0.319 . . . . 0.0 111.263 169.278 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 104' ' ' HIS . . . . . 0.475 ' ND1' ' C ' ' B' ' 104' ' ' HIS . 0.3 OUTLIER -134.3 102.62 5.42 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.162 168.139 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' B' B ' 105' ' ' GLU . . . . . 0.408 ' HG2' ' HG3' ' B' ' 106' ' ' GLU . 88.6 tt0 -81.4 144.47 31.4 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.195 179.5 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 106' ' ' GLU . . . . . 0.428 ' HA ' ' CD2' ' B' ' 113' ' ' PHE . 94.3 mt-10 63.05 53.18 2.38 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.217 -173.494 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 107' ' ' ARG . . . . . 0.445 ' HB3' HG13 ' B' ' 114' ' ' ILE . 60.3 ttt-85 -108.72 92.15 3.94 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.194 -174.176 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 108' ' ' GLN . . . . . . . . . . . . . 66.4 tt0 -58.51 120.33 8.63 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.136 177.762 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 109' ' ' ASP . . . . . . . . . . . . . 53.1 p30 -160.32 -149.7 0.2 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.221 -173.05 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 110' ' ' GLU . . . . . . . . . . . . . 88.5 tt0 -45.54 -67.43 0.28 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.137 -176.068 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 111' ' ' HIS . . . . . . . . . . . . . 97.9 m-70 -96.83 78.04 2.85 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.215 -174.884 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 112' ' ' GLY . . . . . 0.408 ' HA3' ' HA ' ' A' ' 122' ' ' TYR . . . 69.73 -111.8 4.07 Favored Glycine 0 CA--C 1.522 0.525 0 N-CA-C 111.14 -0.784 . . . . 0.0 111.14 -179.615 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 113' ' ' PHE . . . . . 0.428 ' CD2' ' HA ' ' B' ' 106' ' ' GLU . 46.5 p90 -138.16 153.89 49.18 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 120.798 0.332 . . . . 0.0 111.202 162.058 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 114' ' ' ILE . . . . . 0.645 HD12 ' C ' ' B' ' 114' ' ' ILE . 2.3 pp -120.8 164.87 16.87 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.203 -167.762 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 115' ' ' SER . . . . . . . . . . . . . 46.9 t -138.66 99.25 3.76 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.182 162.013 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 116' ' ' ARG . . . . . . . . . . . . . 89.1 mtm180 -112.96 111.51 22.31 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.16 -167.636 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 117' ' ' GLU . . . . . 0.454 ' HB3' ' HB3' ' A' ' 117' ' ' GLU . 86.3 tt0 -85.66 104.65 15.59 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.078 176.727 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 118' ' ' PHE . . . . . . . . . . . . . 74.6 m-85 -84.12 163.19 19.96 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.178 -173.814 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 119' ' ' HIS . . . . . . . . . . . . . 9.4 t-160 -163.64 62.34 0.17 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.169 178.741 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 120' ' ' ARG . . . . . 0.515 ' HB2' ' HB ' ' B' ' 100' ' ' VAL . 79.7 mtt-85 -84.29 103.13 13.22 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.22 -172.591 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 121' ' ' LYS . . . . . . . . . . . . . 97.3 mttt -85.61 85.48 7.41 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.238 175.39 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 122' ' ' TYR . . . . . 0.444 ' CD1' ' C ' ' B' ' 122' ' ' TYR . 4.7 t80 -81.19 109.96 16.23 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.156 179.356 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 123' ' ' ARG . . . . . 0.52 ' HA ' ' HA ' ' B' ' 97' ' ' VAL . 7.3 ttp180 -77.66 139.87 39.51 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.197 -159.982 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 124' ' ' ILE . . . . . . . . . . . . . 72.4 mt -89.56 133.55 34.26 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.219 -172.599 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 125' ' ' PRO . . . . . . . . . . . . . 77.5 Cg_exo -50.41 146.88 17.89 Favored 'Trans proline' 0 N--CA 1.459 -0.516 0 C-N-CA 121.615 1.543 . . . . 0.0 111.252 173.305 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 126' ' ' ALA . . . . . . . . . . . . . . . -61.94 -14.8 38.18 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.226 -177.154 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 127' ' ' ASP . . . . . . . . . . . . . 78.7 m-20 -99.65 -17.41 17.8 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.167 -175.446 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 128' ' ' VAL . . . . . . . . . . . . . 83.8 t -94.83 139.99 17.6 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.208 -178.768 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 129' ' ' ASP . . . . . . . . . . . . . 85.9 m-20 -109.86 154.56 42.52 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.169 179.063 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 130' ' ' PRO . . . . . . . . . . . . . 82.9 Cg_exo -53.19 -31.95 57.79 Favored 'Trans proline' 0 N--CA 1.458 -0.566 0 C-N-CA 121.699 1.599 . . . . 0.0 111.244 -179.89 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 131' ' ' LEU . . . . . . . . . . . . . 95.8 mt -81.84 -31.64 31.56 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.153 -174.712 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 132' ' ' THR . . . . . . . . . . . . . 82.0 p -72.45 -23.55 61.07 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.219 178.735 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 133' ' ' ILE . . . . . . . . . . . . . 93.9 mt -73.81 127.75 35.85 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.383 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.107 177.161 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 134' ' ' THR . . . . . . . . . . . . . 97.9 m -112.22 132.58 54.84 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.16 -178.78 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 135' ' ' SER . . . . . . . . . . . . . 30.1 t -111.63 130.52 55.73 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.317 -0.401 . . . . 0.0 111.25 179.947 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 136' ' ' SER . . . . . . . . . . . . . 42.6 t -141.84 127.0 18.5 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.188 -177.765 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 137' ' ' LEU . . . . . . . . . . . . . 63.3 tp -98.9 128.69 45.15 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.211 -176.026 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 138' ' ' SER . . . . . . . . . . . . . 59.6 p -86.65 166.11 15.61 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.214 177.405 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 139' ' ' SER . . . . . . . . . . . . . 87.8 p -76.77 -11.26 59.81 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.252 178.757 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 140' ' ' ASP . . . . . . . . . . . . . 89.3 m-20 -89.89 -1.84 58.06 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.05 -0.523 . . . . 0.0 111.222 178.905 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 141' ' ' GLY . . . . . . . . . . . . . . . 83.69 35.87 15.33 Favored Glycine 0 CA--C 1.523 0.534 0 N-CA-C 111.243 -0.743 . . . . 0.0 111.243 179.498 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 142' ' ' VAL . . . . . . . . . . . . . 60.5 t -115.6 108.15 24.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-O 120.867 0.365 . . . . 0.0 111.24 174.173 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 143' ' ' LEU . . . . . . . . . . . . . 62.3 tp -91.51 110.25 21.56 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.167 -177.661 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 144' ' ' THR . . . . . . . . . . . . . 97.6 m -96.48 115.43 27.41 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.162 -174.606 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 145' ' ' VAL . . . . . . . . . . . . . 60.3 t -120.28 113.32 39.98 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.121 -0.491 . . . . 0.0 111.255 -179.456 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 146' ' ' ASP . . . . . 0.716 ' OD1' ' O ' ' B' ' 146' ' ' ASP . 32.5 p30 -141.39 130.12 22.88 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.195 -159.008 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 147' ' ' GLY . . . . . . . . . . . . . . . -114.05 158.21 14.46 Favored Glycine 0 CA--C 1.522 0.526 0 N-CA-C 111.2 -0.76 . . . . 0.0 111.2 174.457 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 148' ' ' PRO . . . . . . . . . . . . . 56.4 Cg_endo -85.41 -45.62 0.05 OUTLIER 'Trans proline' 0 N--CA 1.457 -0.633 0 C-N-CA 121.8 1.667 . . . . 0.0 111.165 -162.79 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 149' ' ' ARG . . . . . . . . . . . . . 84.4 mtp180 . . . . . 0 C--N 1.329 -0.315 0 CA-C-N 116.275 -0.421 . . . . 0.0 111.177 -163.527 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . 0.404 ' OE1' ' N ' ' A' ' 67' ' ' GLU . 24.4 pm0 . . . . . 0 CA--C 1.522 -0.122 0 CA-C-O 120.848 0.356 . . . . 0.0 111.179 . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 68' ' ' MET . . . . . . . . . . . . . 63.6 mtm -70.36 149.57 47.2 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.169 -0.468 . . . . 0.0 111.119 -178.164 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 79.7 ttt180 -125.01 97.18 5.15 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.186 -177.942 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 70' ' ' LEU . . . . . 0.502 HD23 ' C ' ' A' ' 70' ' ' LEU . 8.6 tt -96.77 106.07 18.31 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.194 175.938 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 71' ' ' GLU . . . . . 0.498 ' O ' ' C ' ' A' ' 72' ' ' LYS . 78.2 mm-40 -97.34 -177.25 3.77 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.245 176.769 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 72' ' ' LYS . . . . . 0.498 ' C ' ' O ' ' A' ' 71' ' ' GLU . 88.0 tttt -29.11 -57.35 0.14 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.21 -179.161 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 52.6 p-10 -137.92 42.2 2.28 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.168 -177.662 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 90.7 mmt-85 -137.21 171.19 14.87 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.305 -178.165 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 75' ' ' PHE . . . . . 0.538 ' O ' ' CD2' ' A' ' 75' ' ' PHE . 47.7 t80 -172.5 84.58 0.06 Allowed 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.189 174.886 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 82.5 p -112.53 172.88 6.65 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.198 -175.986 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 5.3 p -151.99 148.39 14.51 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.261 168.802 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 57.6 t-20 -137.32 107.96 6.58 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.284 -0.416 . . . . 0.0 111.182 -178.249 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 1.1 pt? -131.44 152.93 50.25 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.101 -178.801 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 65.5 t0 -99.54 119.37 37.93 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.195 -170.028 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 17.6 m -131.63 43.77 0.6 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.127 174.336 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 64.1 pttt -70.11 -18.88 63.26 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.134 -178.023 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 96.4 m-70 -83.82 -7.23 59.5 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.283 178.111 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 84' ' ' PHE . . . . . . . . . . . . . 36.2 m-85 -106.24 170.8 7.71 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.22 -176.145 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 75.6 m -124.66 153.0 69.98 Favored Pre-proline 0 C--N 1.328 -0.327 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.126 -178.05 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 74.3 Cg_exo -54.86 -26.76 49.9 Favored 'Trans proline' 0 N--CA 1.459 -0.541 0 C-N-CA 121.637 1.558 . . . . 0.0 111.209 177.365 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 99.0 mt-10 -87.24 -25.15 24.13 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.141 -0.482 . . . . 0.0 111.261 176.961 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 98.5 mt-10 -95.69 -7.43 37.43 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.24 -178.023 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 2.0 pp -136.33 147.68 47.53 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.202 177.918 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 83.7 tttt -152.98 119.22 5.51 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.239 176.439 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 97.5 t -73.04 117.39 16.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.239 175.682 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 92' ' ' LYS . . . . . 0.406 ' HB2' ' HG3' ' A' ' 99' ' ' GLU . 99.1 mttt -123.69 174.69 7.31 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.339 -0.392 . . . . 0.0 111.207 179.381 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 33.7 m -129.19 161.21 39.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.069 172.898 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 22.1 tp -147.48 69.24 1.14 Allowed 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.182 173.989 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 82.55 -104.29 2.5 Favored Glycine 0 CA--C 1.523 0.578 0 N-CA-C 111.184 -0.766 . . . . 0.0 111.184 -177.669 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 85.1 m-20 -96.56 11.71 34.22 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.842 0.353 . . . . 0.0 111.13 -174.007 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 97' ' ' VAL . . . . . 0.4 ' HB ' ' HB3' ' A' ' 121' ' ' LYS . 28.0 m -126.83 161.27 33.86 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.233 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.173 178.683 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 98' ' ' ILE . . . . . 0.479 ' HB ' ' HB2' ' A' ' 122' ' ' TYR . 59.1 mt -119.02 68.51 0.29 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.234 173.78 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 99' ' ' GLU . . . . . 0.669 ' O ' ' HG3' ' A' ' 99' ' ' GLU . 21.7 pt-20 -54.95 100.95 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.11 -174.437 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 100' ' ' VAL . . . . . . . . . . . . . 73.9 t -78.23 94.72 1.59 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.067 174.519 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 101' ' ' HIS . . . . . 0.461 ' HA ' ' HA ' ' A' ' 119' ' ' HIS . 9.3 t-160 -78.46 84.65 4.59 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.163 -0.472 . . . . 0.0 111.198 -173.485 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . -105.05 155.26 17.14 Favored Glycine 0 CA--C 1.523 0.57 0 N-CA-C 111.152 -0.779 . . . . 0.0 111.152 -179.114 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 103' ' ' LYS . . . . . 0.405 ' HA ' ' O ' ' A' ' 116' ' ' ARG . 64.6 pttt -166.99 127.65 1.56 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.908 0.385 . . . . 0.0 111.138 173.312 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 104' ' ' HIS . . . . . . . . . . . . . 23.0 t-160 -113.13 103.41 11.33 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.17 174.386 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 90.9 mt-10 -91.59 154.99 18.68 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.141 -0.482 . . . . 0.0 111.165 -176.637 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 94.7 mt-10 60.34 53.84 4.16 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.195 177.706 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 107' ' ' ARG . . . . . 0.454 ' HB3' HG13 ' A' ' 114' ' ' ILE . 49.5 ttt85 -106.65 108.49 20.03 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.194 -169.886 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 108' ' ' GLN . . . . . . . . . . . . . 69.5 tp60 -69.76 124.98 25.37 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.17 176.269 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 58.0 p-10 -146.31 -167.55 2.77 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.086 -0.506 . . . . 0.0 111.126 177.486 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 24.9 pm0 -66.3 -20.15 66.02 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.289 -0.414 . . . . 0.0 111.129 -177.008 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 111' ' ' HIS . . . . . 0.432 ' O ' ' HA ' ' B' ' 122' ' ' TYR . 56.4 m-70 -83.62 -42.52 16.62 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.334 -0.394 . . . . 0.0 111.273 178.739 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 112' ' ' GLY . . . . . 0.408 ' HA3' ' O ' ' B' ' 121' ' ' LYS . . . 156.25 -119.64 0.93 Allowed Glycine 0 CA--C 1.524 0.608 0 N-CA-C 111.266 -0.734 . . . . 0.0 111.266 -170.611 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 113' ' ' PHE . . . . . . . . . . . . . 55.7 m-85 -114.39 117.59 31.47 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.746 0.308 . . . . 0.0 111.241 162.976 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 114' ' ' ILE . . . . . 0.454 HG13 ' HB3' ' A' ' 107' ' ' ARG . 46.3 pt -104.92 170.24 2.06 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.374 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.256 172.481 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 115' ' ' SER . . . . . 0.407 ' O ' ' HA ' ' B' ' 118' ' ' PHE . 34.8 t -144.23 83.34 1.73 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.141 -0.482 . . . . 0.0 111.22 -176.955 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 116' ' ' ARG . . . . . 0.405 ' O ' ' HA ' ' A' ' 103' ' ' LYS . 90.5 mtm180 -72.14 135.05 46.07 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.321 -0.4 . . . . 0.0 111.306 -172.555 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 87.5 tt0 -144.23 135.49 25.52 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.209 171.357 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 118' ' ' PHE . . . . . 0.406 ' HA ' ' O ' ' B' ' 115' ' ' SER . 23.3 p90 -161.24 168.43 24.12 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.215 -174.99 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 119' ' ' HIS . . . . . 0.83 ' O ' ' ND1' ' A' ' 119' ' ' HIS . 18.0 p80 -143.26 81.51 1.71 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.248 174.953 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 120' ' ' ARG . . . . . 0.439 ' HA ' HG22 ' B' ' 114' ' ' ILE . 87.0 mtt-85 -68.15 93.81 0.47 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.227 -163.639 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 121' ' ' LYS . . . . . 0.409 ' O ' ' HA3' ' B' ' 112' ' ' GLY . 97.3 mttt -68.09 76.6 0.23 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.151 -179.532 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 122' ' ' TYR . . . . . 0.479 ' HB2' ' HB ' ' A' ' 98' ' ' ILE . 40.4 m-85 -59.49 106.86 0.5 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.16 174.461 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 123' ' ' ARG . . . . . . . . . . . . . 14.8 tpt180 -78.78 113.58 16.98 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.197 -167.974 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 124' ' ' ILE . . . . . . . . . . . . . 85.2 mt -71.15 121.16 83.4 Favored Pre-proline 0 C--N 1.33 -0.247 0 CA-C-N 116.11 -0.495 . . . . 0.0 111.168 -175.152 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 125' ' ' PRO . . . . . . . . . . . . . 78.6 Cg_exo -51.09 143.55 31.61 Favored 'Trans proline' 0 N--CA 1.458 -0.617 0 C-N-CA 121.646 1.564 . . . . 0.0 111.243 174.196 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . -62.49 -13.82 34.69 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.205 -176.047 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 127' ' ' ASP . . . . . . . . . . . . . 83.0 m-20 -99.25 13.93 31.34 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.257 -177.347 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 128' ' ' VAL . . . . . . . . . . . . . 82.4 t -121.63 133.86 66.76 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.241 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.226 -179.397 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 129' ' ' ASP . . . . . 0.417 ' HA ' ' HD2' ' A' ' 130' ' ' PRO . 64.0 t0 -84.02 119.37 73.3 Favored Pre-proline 0 C--N 1.33 -0.269 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.166 178.594 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 130' ' ' PRO . . . . . 0.417 ' HD2' ' HA ' ' A' ' 129' ' ' ASP . 46.8 Cg_endo -70.56 -14.23 33.38 Favored 'Trans proline' 0 N--CA 1.459 -0.545 0 C-N-CA 121.696 1.598 . . . . 0.0 111.208 -174.665 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 131' ' ' LEU . . . . . . . . . . . . . 95.9 mt -88.53 -1.48 58.08 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.223 -178.792 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 132' ' ' THR . . . . . . . . . . . . . 76.6 p -110.39 4.06 20.3 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.219 -178.73 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 133' ' ' ILE . . . . . 0.481 ' HA ' ' HA3' ' A' ' 147' ' ' GLY . 88.0 mt -95.09 121.84 46.02 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.276 -173.656 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 134' ' ' THR . . . . . . . . . . . . . 54.9 p -107.71 172.8 6.62 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.179 176.846 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 135' ' ' SER . . . . . . . . . . . . . 34.3 t -150.09 140.28 22.16 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.161 -177.816 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 136' ' ' SER . . . . . . . . . . . . . 89.9 p -148.61 156.36 42.31 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.331 -0.395 . . . . 0.0 111.186 179.106 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 137' ' ' LEU . . . . . . . . . . . . . 66.0 tp -134.27 119.35 18.62 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.237 -177.261 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 138' ' ' SER . . . . . . . . . . . . . 60.2 p -78.72 167.25 21.48 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 116.314 -0.403 . . . . 0.0 111.23 -178.99 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 139' ' ' SER . . . . . . . . . . . . . 86.2 p -70.11 -17.77 63.22 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.157 176.534 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 140' ' ' ASP . . . . . . . . . . . . . 93.4 m-20 -82.67 -10.3 58.99 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.201 176.988 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 141' ' ' GLY . . . . . . . . . . . . . . . 94.64 19.02 33.24 Favored Glycine 0 CA--C 1.524 0.615 0 N-CA-C 111.217 -0.753 . . . . 0.0 111.217 177.303 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 142' ' ' VAL . . . . . . . . . . . . . 68.2 t -84.44 101.77 9.45 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-O 120.7 0.286 . . . . 0.0 111.184 178.318 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 143' ' ' LEU . . . . . . . . . . . . . 60.1 tp -92.33 117.79 30.26 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.289 -0.414 . . . . 0.0 111.21 -179.363 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 144' ' ' THR . . . . . . . . . . . . . 98.8 m -121.84 126.9 49.83 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.13 -175.051 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 145' ' ' VAL . . . . . . . . . . . . . 48.4 t -128.15 121.62 56.28 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.211 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.186 177.301 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 146' ' ' ASP . . . . . . . . . . . . . 61.8 t0 -152.93 123.39 7.2 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.264 -162.808 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 147' ' ' GLY . . . . . 0.481 ' HA3' ' HA ' ' A' ' 133' ' ' ILE . . . -139.83 131.16 5.01 Favored Glycine 0 CA--C 1.524 0.606 0 N-CA-C 111.245 -0.742 . . . . 0.0 111.245 174.888 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 148' ' ' PRO . . . . . . . . . . . . . 73.9 Cg_exo -54.04 146.38 48.24 Favored 'Trans proline' 0 N--CA 1.458 -0.605 0 C-N-CA 121.687 1.591 . . . . 0.0 111.219 177.526 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 149' ' ' ARG . . . . . . . . . . . . . 82.0 mtp180 . . . . . 0 C--N 1.329 -0.31 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.156 -179.471 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' B' B ' 67' ' ' GLU . . . . . 0.408 ' N ' ' OE1' ' B' ' 67' ' ' GLU . 24.4 pm0 . . . . . 0 C--O 1.231 0.123 0 CA-C-O 120.754 0.311 . . . . 0.0 111.236 . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 68' ' ' MET . . . . . . . . . . . . . 63.0 mtm -70.21 149.52 47.4 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.242 -178.195 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 69' ' ' ARG . . . . . . . . . . . . . 79.7 ttt180 -125.04 97.08 5.1 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.271 -177.974 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 70' ' ' LEU . . . . . 0.494 ' C ' HD23 ' B' ' 70' ' ' LEU . 8.6 tt -96.68 106.14 18.36 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.06 176.102 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 71' ' ' GLU . . . . . 0.492 ' O ' ' C ' ' B' ' 72' ' ' LYS . 78.1 mm-40 -97.34 -177.22 3.75 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.257 -0.428 . . . . 0.0 111.176 176.707 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 72' ' ' LYS . . . . . 0.492 ' C ' ' O ' ' B' ' 71' ' ' GLU . 88.0 tttt -29.11 -57.36 0.14 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.147 -179.218 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 73' ' ' ASP . . . . . . . . . . . . . 52.6 p-10 -137.93 42.15 2.28 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.201 -177.581 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 74' ' ' ARG . . . . . . . . . . . . . 90.6 mmt-85 -137.24 171.15 14.91 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.089 -178.003 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 75' ' ' PHE . . . . . 0.531 ' O ' ' CD2' ' B' ' 75' ' ' PHE . 47.4 t80 -172.51 84.58 0.06 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.072 -0.513 . . . . 0.0 111.228 174.729 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 76' ' ' SER . . . . . . . . . . . . . 82.4 p -112.44 172.91 6.63 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.155 -175.976 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 77' ' ' VAL . . . . . . . . . . . . . 5.1 p -151.96 148.39 14.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.273 168.775 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 78' ' ' ASN . . . . . . . . . . . . . 57.6 t-20 -137.36 108.01 6.59 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.157 -178.315 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 79' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -131.47 152.94 50.27 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.145 -178.821 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 80' ' ' ASP . . . . . . . . . . . . . 65.4 t0 -99.51 119.34 37.87 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.196 -169.985 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 81' ' ' VAL . . . . . . . . . . . . . 17.8 m -131.63 43.79 0.59 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.39 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.176 174.256 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 82' ' ' LYS . . . . . . . . . . . . . 64.0 pttt -69.98 -18.91 63.36 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.197 -178.137 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 83' ' ' HIS . . . . . . . . . . . . . 96.4 m-70 -83.76 -7.47 59.46 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.173 178.219 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 84' ' ' PHE . . . . . . . . . . . . . 37.1 m-85 -106.14 170.92 7.63 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.145 -176.1 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 85' ' ' SER . . . . . . . . . . . . . 75.7 m -124.73 152.99 70.22 Favored Pre-proline 0 C--N 1.328 -0.333 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.218 -178.155 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 86' ' ' PRO . . . . . . . . . . . . . 75.1 Cg_exo -54.84 -26.83 50.0 Favored 'Trans proline' 0 N--CA 1.459 -0.528 0 C-N-CA 121.602 1.534 . . . . 0.0 111.178 177.408 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 87' ' ' GLU . . . . . . . . . . . . . 99.1 mt-10 -87.23 -25.11 24.15 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.259 176.992 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 88' ' ' GLU . . . . . . . . . . . . . 98.5 mt-10 -95.64 -7.38 37.75 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.234 -178.083 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 89' ' ' LEU . . . . . . . . . . . . . 2.0 pp -136.38 147.62 47.42 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.164 178.03 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 90' ' ' LYS . . . . . . . . . . . . . 83.8 tttt -152.97 119.17 5.5 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.142 176.494 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 91' ' ' VAL . . . . . . . . . . . . . 97.0 t -73.07 117.45 16.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.187 175.658 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 92' ' ' LYS . . . . . 0.415 ' HB2' ' HG3' ' B' ' 99' ' ' GLU . 99.2 mttt -123.71 174.68 7.32 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.24 -0.437 . . . . 0.0 111.296 179.325 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 93' ' ' VAL . . . . . . . . . . . . . 33.7 m -129.22 161.32 38.87 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.275 -0.42 . . . . 0.0 111.15 172.829 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 94' ' ' LEU . . . . . . . . . . . . . 22.0 tp -147.56 69.18 1.14 Allowed 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.142 174.118 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 95' ' ' GLY . . . . . . . . . . . . . . . 82.64 -104.29 2.51 Favored Glycine 0 CA--C 1.523 0.553 0 N-CA-C 111.196 -0.762 . . . . 0.0 111.196 -177.64 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 96' ' ' ASP . . . . . . . . . . . . . 84.9 m-20 -96.59 11.62 34.58 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-O 120.941 0.4 . . . . 0.0 111.206 -174.023 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 97' ' ' VAL . . . . . . . . . . . . . 28.8 m -126.8 161.33 33.66 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.222 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.222 178.592 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 98' ' ' ILE . . . . . 0.483 ' HB ' ' HB2' ' B' ' 122' ' ' TYR . 58.8 mt -119.03 68.47 0.29 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.193 173.82 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 99' ' ' GLU . . . . . 0.667 ' HG3' ' O ' ' B' ' 99' ' ' GLU . 21.8 pt-20 -54.92 100.88 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.246 -174.541 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 100' ' ' VAL . . . . . . . . . . . . . 72.4 t -78.05 94.44 1.51 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.369 0 CA-C-N 116.268 -0.423 . . . . 0.0 111.2 174.556 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 101' ' ' HIS . . . . . 0.458 ' HA ' ' HA ' ' B' ' 119' ' ' HIS . 9.2 t-160 -78.23 84.6 4.43 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.145 -173.406 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 102' ' ' GLY . . . . . . . . . . . . . . . -105.03 155.29 17.14 Favored Glycine 0 CA--C 1.523 0.536 0 N-CA-C 111.243 -0.743 . . . . 0.0 111.243 -179.297 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 103' ' ' LYS . . . . . 0.408 ' HA ' ' O ' ' B' ' 116' ' ' ARG . 64.6 pttt -166.88 127.64 1.59 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.812 0.339 . . . . 0.0 111.179 173.303 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 104' ' ' HIS . . . . . . . . . . . . . 23.0 t-160 -113.04 103.28 11.22 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.157 174.417 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 105' ' ' GLU . . . . . . . . . . . . . 90.9 mt-10 -91.53 154.94 18.75 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.303 -0.408 . . . . 0.0 111.237 -176.658 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 106' ' ' GLU . . . . . . . . . . . . . 94.8 mt-10 60.43 53.68 4.15 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.296 -0.411 . . . . 0.0 111.318 177.771 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 107' ' ' ARG . . . . . 0.454 ' HB3' HG13 ' B' ' 114' ' ' ILE . 49.5 ttt85 -106.65 108.4 19.88 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.196 -169.766 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 108' ' ' GLN . . . . . . . . . . . . . 69.6 tp60 -69.58 124.84 24.97 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.275 176.224 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 109' ' ' ASP . . . . . . . . . . . . . 58.1 p-10 -146.12 -167.48 2.74 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.173 177.471 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 110' ' ' GLU . . . . . . . . . . . . . 24.9 pm0 -66.42 -20.1 65.97 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.147 -177.067 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 111' ' ' HIS . . . . . 0.435 ' O ' ' HA ' ' A' ' 122' ' ' TYR . 56.8 m-70 -83.69 -42.53 16.51 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.275 -0.42 . . . . 0.0 111.23 178.771 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 112' ' ' GLY . . . . . 0.409 ' HA3' ' O ' ' A' ' 121' ' ' LYS . . . 156.28 -119.87 0.95 Allowed Glycine 0 CA--C 1.522 0.53 0 N-CA-C 111.164 -0.775 . . . . 0.0 111.164 -170.547 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 113' ' ' PHE . . . . . . . . . . . . . 55.3 m-85 -114.27 117.77 32.05 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-O 120.865 0.364 . . . . 0.0 111.145 162.934 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 114' ' ' ILE . . . . . 0.454 HG13 ' HB3' ' B' ' 107' ' ' ARG . 46.5 pt -105.03 170.22 2.08 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.202 172.421 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 115' ' ' SER . . . . . 0.406 ' O ' ' HA ' ' A' ' 118' ' ' PHE . 35.1 t -144.2 83.37 1.73 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.181 -177.034 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 116' ' ' ARG . . . . . 0.408 ' O ' ' HA ' ' B' ' 103' ' ' LYS . 90.5 mtm180 -71.97 135.09 46.31 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.31 -0.404 . . . . 0.0 111.332 -172.664 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 117' ' ' GLU . . . . . . . . . . . . . 87.5 tt0 -144.27 135.31 25.29 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.27 171.405 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 118' ' ' PHE . . . . . 0.407 ' HA ' ' O ' ' A' ' 115' ' ' SER . 23.5 p90 -161.15 168.39 24.36 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.208 -174.969 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 119' ' ' HIS . . . . . 0.834 ' O ' ' ND1' ' B' ' 119' ' ' HIS . 17.9 p80 -143.22 81.47 1.71 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.21 174.896 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 120' ' ' ARG . . . . . 0.448 ' HA ' HG22 ' A' ' 114' ' ' ILE . 87.0 mtt-85 -68.14 93.92 0.47 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.187 -163.638 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 121' ' ' LYS . . . . . 0.408 ' O ' ' HA3' ' A' ' 112' ' ' GLY . 97.3 mttt -68.04 76.53 0.23 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.163 -0.472 . . . . 0.0 111.188 -179.603 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 122' ' ' TYR . . . . . 0.483 ' HB2' ' HB ' ' B' ' 98' ' ' ILE . 40.5 m-85 -59.58 106.86 0.51 Allowed 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.233 174.488 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 123' ' ' ARG . . . . . . . . . . . . . 14.8 tpt180 -78.6 113.66 16.83 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.176 -167.953 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 124' ' ' ILE . . . . . . . . . . . . . 84.9 mt -71.3 121.05 83.16 Favored Pre-proline 0 C--N 1.327 -0.379 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.178 -175.2 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 125' ' ' PRO . . . . . . . . . . . . . 78.1 Cg_exo -50.96 143.44 30.79 Favored 'Trans proline' 0 C--N 1.327 -0.554 0 C-N-CA 121.772 1.648 . . . . 0.0 111.178 174.227 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 126' ' ' ALA . . . . . . . . . . . . . . . -62.6 -13.68 34.17 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.102 -176.034 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 127' ' ' ASP . . . . . . . . . . . . . 83.3 m-20 -99.3 13.92 31.41 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.216 -177.39 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 128' ' ' VAL . . . . . . . . . . . . . 82.6 t -121.57 133.8 66.9 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.174 -179.293 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 129' ' ' ASP . . . . . . . . . . . . . 64.0 t0 -83.94 119.33 73.3 Favored Pre-proline 0 C--N 1.328 -0.352 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.161 178.541 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 130' ' ' PRO . . . . . 0.427 ' HA ' HD12 ' B' ' 133' ' ' ILE . 47.3 Cg_endo -70.52 -14.37 33.61 Favored 'Trans proline' 0 N--CA 1.458 -0.598 0 C-N-CA 121.707 1.605 . . . . 0.0 111.27 -174.751 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 131' ' ' LEU . . . . . . . . . . . . . 95.7 mt -88.53 -1.23 57.94 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.258 -178.83 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 132' ' ' THR . . . . . . . . . . . . . 74.7 p -110.55 4.12 20.07 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.175 -178.796 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 133' ' ' ILE . . . . . 0.465 ' HA ' ' HA3' ' B' ' 147' ' ' GLY . 88.3 mt -95.17 121.89 46.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.223 -173.681 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 134' ' ' THR . . . . . . . . . . . . . 55.9 p -107.77 172.77 6.64 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.215 176.734 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 135' ' ' SER . . . . . . . . . . . . . 34.7 t -150.03 140.29 22.22 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.231 -177.797 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 136' ' ' SER . . . . . . . . . . . . . 89.0 p -148.53 156.24 42.18 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.277 -0.42 . . . . 0.0 111.202 179.173 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 137' ' ' LEU . . . . . . . . . . . . . 66.1 tp -134.22 119.46 18.81 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.257 -177.352 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 138' ' ' SER . . . . . . . . . . . . . 60.2 p -78.8 167.29 21.4 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.314 -0.403 . . . . 0.0 111.214 -178.88 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 139' ' ' SER . . . . . . . . . . . . . 86.6 p -70.16 -17.61 63.18 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.24 176.545 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 140' ' ' ASP . . . . . . . . . . . . . 93.4 m-20 -82.92 -10.12 58.97 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.174 177.046 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 141' ' ' GLY . . . . . . . . . . . . . . . 94.55 19.06 33.38 Favored Glycine 0 CA--C 1.522 0.479 0 N-CA-C 111.252 -0.739 . . . . 0.0 111.252 177.277 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 142' ' ' VAL . . . . . . . . . . . . . 67.9 t -84.48 101.68 9.37 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.23 0 CA-C-O 120.69 0.281 . . . . 0.0 111.172 178.328 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 143' ' ' LEU . . . . . . . . . . . . . 60.1 tp -92.3 117.72 30.17 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.23 -179.348 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 144' ' ' THR . . . . . . . . . . . . . 98.7 m -121.66 126.89 50.07 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.267 -175.058 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 145' ' ' VAL . . . . . . . . . . . . . 48.6 t -128.24 121.57 56.01 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 116.335 -0.393 . . . . 0.0 111.235 177.358 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 146' ' ' ASP . . . . . . . . . . . . . 61.8 t0 -153.0 123.37 7.15 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.297 -0.41 . . . . 0.0 111.279 -162.703 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 147' ' ' GLY . . . . . 0.465 ' HA3' ' HA ' ' B' ' 133' ' ' ILE . . . -139.82 131.22 5.04 Favored Glycine 0 CA--C 1.524 0.631 0 N-CA-C 111.189 -0.765 . . . . 0.0 111.189 174.982 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 148' ' ' PRO . . . . . . . . . . . . . 74.9 Cg_exo -54.23 146.35 50.38 Favored 'Trans proline' 0 N--CA 1.457 -0.627 0 C-N-CA 121.622 1.548 . . . . 0.0 111.172 177.614 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 149' ' ' ARG . . . . . . . . . . . . . 81.9 mtp180 . . . . . 0 C--N 1.328 -0.35 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.232 -179.571 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.522 0.489 0 N-CA-C 111.231 -0.747 . . . . 0.0 111.231 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 99.4 mt -102.92 15.19 30.09 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.79 0.329 . . . . 0.0 111.244 179.348 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 79.3 p -141.58 27.22 1.88 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.267 175.99 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 89.2 tt0 -104.74 133.63 49.25 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.22 -168.959 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 68' ' ' MET . . . . . . . . . . . . . 64.9 ttp -102.36 132.72 48.17 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.162 166.934 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 55.3 ttp180 -158.54 128.41 5.86 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.067 -0.515 . . . . 0.0 111.212 178.447 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 65.6 tp -77.68 109.49 11.71 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.322 -0.399 . . . . 0.0 111.136 166.293 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 71' ' ' GLU . . . . . 0.482 ' O ' ' C ' ' A' ' 72' ' ' LYS . 79.5 mm-40 -68.99 -179.25 1.43 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.101 -0.5 . . . . 0.0 111.235 179.075 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 72' ' ' LYS . . . . . 0.482 ' C ' ' O ' ' A' ' 71' ' ' GLU . 87.9 tttt -29.53 -59.97 0.15 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.123 177.588 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 57.6 p-10 -146.45 46.41 1.21 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.2 176.331 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 74' ' ' ARG . . . . . 0.428 ' HA ' ' HA ' ' A' ' 148' ' ' PRO . 79.2 ttt180 -160.49 127.7 4.36 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.227 -175.732 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 75' ' ' PHE . . . . . . . . . . . . . 37.7 t80 -96.46 117.98 32.02 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.154 -177.937 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 90.1 p -132.81 147.92 52.31 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.217 -177.708 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 77' ' ' VAL . . . . . 0.491 ' O ' ' HA ' ' A' ' 144' ' ' THR . 87.9 t -139.95 136.36 38.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.162 179.256 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 93.6 m-20 -105.56 147.09 28.78 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.207 166.053 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 79' ' ' LEU . . . . . 0.476 ' HB2' ' HB3' ' A' ' 143' ' ' LEU . 73.7 mt -143.14 146.27 33.58 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.206 -173.231 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 58.8 t0 -82.02 113.26 19.78 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.247 -178.811 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 81' ' ' VAL . . . . . 0.741 ' O ' HG12 ' A' ' 81' ' ' VAL . 62.0 t -134.39 45.65 0.48 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.102 170.535 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 82' ' ' LYS . . . . . 0.47 ' HA ' ' HA3' ' A' ' 141' ' ' GLY . 98.5 mttt -78.17 -28.93 48.37 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.158 -165.8 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 41.8 m80 -121.34 3.69 10.29 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.288 -0.415 . . . . 0.0 111.167 -162.654 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 84' ' ' PHE . . . . . 0.442 ' CD1' ' HB2' ' A' ' 104' ' ' HIS . 40.8 p90 -146.31 -179.18 6.56 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.202 177.342 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 85' ' ' SER . . . . . 0.469 ' HB3' ' HD2' ' A' ' 86' ' ' PRO . 69.4 m -128.76 166.92 21.45 Favored Pre-proline 0 C--N 1.328 -0.344 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.212 -154.336 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 86' ' ' PRO . . . . . 0.469 ' HD2' ' HB3' ' A' ' 85' ' ' SER . 87.0 Cg_exo -51.96 -30.24 38.76 Favored 'Trans proline' 0 N--CA 1.457 -0.664 0 C-N-CA 121.665 1.577 . . . . 0.0 111.268 177.807 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 99.8 mt-10 -65.91 -34.9 79.18 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.181 -176.952 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 93.7 mt-10 -103.49 -5.79 22.45 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.16 177.675 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 89' ' ' LEU . . . . . 0.458 ' HB3' ' HA ' ' A' ' 86' ' ' PRO . 46.5 tp -94.21 96.74 9.79 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.123 178.835 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 98.8 mttt -95.63 74.57 3.21 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.18 -173.1 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 97.3 t -61.19 102.68 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.128 174.729 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 99.1 mttt -118.83 150.85 39.13 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.223 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 35.2 m -129.12 152.62 37.47 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.207 171.372 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 94' ' ' LEU . . . . . 0.48 ' HB2' ' HB ' ' A' ' 97' ' ' VAL . 75.5 mt -133.28 74.35 1.56 Allowed 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.233 179.175 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 81.16 -104.64 2.37 Favored Glycine 0 CA--C 1.523 0.593 0 N-CA-C 111.183 -0.767 . . . . 0.0 111.183 179.925 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 48.5 p-10 -97.57 29.86 3.14 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 120.84 0.352 . . . . 0.0 111.163 171.041 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 97' ' ' VAL . . . . . 0.48 ' HB ' ' HB2' ' A' ' 94' ' ' LEU . 99.7 t -124.32 139.85 49.41 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.379 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.253 -177.153 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 98' ' ' ILE . . . . . . . . . . . . . 63.8 mt -118.57 92.74 2.23 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.385 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.13 175.924 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 99' ' ' GLU . . . . . 0.469 ' HA ' ' HA ' ' A' ' 121' ' ' LYS . 84.5 tt0 -97.64 87.83 4.18 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.191 179.555 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 100' ' ' VAL . . . . . 0.505 ' HB ' ' HB2' ' A' ' 120' ' ' ARG . 58.7 t -77.98 73.18 0.55 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.188 176.193 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 101' ' ' HIS . . . . . 0.626 ' O ' ' ND1' ' A' ' 101' ' ' HIS . 15.7 t-80 -60.78 75.66 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.128 175.313 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 102' ' ' GLY . . . . . 0.42 ' N ' ' O ' ' A' ' 100' ' ' VAL . . . -66.87 170.25 33.25 Favored Glycine 0 CA--C 1.524 0.638 0 N-CA-C 111.185 -0.766 . . . . 0.0 111.185 172.324 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 103' ' ' LYS . . . . . 0.422 ' HA ' ' HA ' ' A' ' 117' ' ' GLU . 37.9 ttpt -168.91 124.48 0.91 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.752 0.311 . . . . 0.0 111.177 174.596 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 104' ' ' HIS . . . . . 0.442 ' HB2' ' CD1' ' A' ' 84' ' ' PHE . 23.3 t-160 -111.21 108.47 18.13 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.3 163.053 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 91.2 mt-10 -93.53 166.73 12.11 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.164 174.858 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 95.1 mt-10 49.58 60.27 3.91 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.217 -179.646 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 107' ' ' ARG . . . . . 0.491 ' HB3' HG13 ' A' ' 114' ' ' ILE . 55.7 ttt85 -109.84 90.77 3.41 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.305 -0.407 . . . . 0.0 111.189 -173.028 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 108' ' ' GLN . . . . . . . . . . . . . 90.2 mt-30 -60.37 137.3 58.16 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.142 175.927 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 56.1 p30 -154.61 -147.75 0.22 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.246 177.193 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 58.9 mp0 -66.98 -18.69 65.5 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.235 -0.438 . . . . 0.0 111.195 -174.548 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 111' ' ' HIS . . . . . . . . . . . . . 23.5 p-80 -135.14 94.73 3.17 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.119 174.87 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 41.03 -139.37 1.48 Allowed Glycine 0 CA--C 1.524 0.612 0 N-CA-C 111.212 -0.755 . . . . 0.0 111.212 179.954 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 113' ' ' PHE . . . . . . . . . . . . . 66.7 m-85 -86.35 150.15 24.54 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.826 0.346 . . . . 0.0 111.294 -178.444 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 114' ' ' ILE . . . . . 0.491 HG13 ' HB3' ' A' ' 107' ' ' ARG . 34.2 pt -134.35 -161.56 0.28 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.15 161.156 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 115' ' ' SER . . . . . 0.455 ' O ' ' HA ' ' B' ' 118' ' ' PHE . 37.7 t -158.63 143.81 16.32 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.256 168.389 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 116' ' ' ARG . . . . . . . . . . . . . 69.5 mtm180 -111.41 84.34 1.93 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.087 175.986 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 117' ' ' GLU . . . . . 0.423 ' HB3' ' HB3' ' B' ' 117' ' ' GLU . 87.2 tt0 -95.59 117.29 30.17 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.081 -0.509 . . . . 0.0 111.157 179.866 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 118' ' ' PHE . . . . . 0.448 ' HA ' ' O ' ' B' ' 115' ' ' SER . 77.4 m-85 -102.81 157.92 16.62 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.077 -165.813 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 119' ' ' HIS . . . . . . . . . . . . . 79.5 m80 -130.8 66.03 1.53 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.201 164.559 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 120' ' ' ARG . . . . . 0.505 ' HB2' ' HB ' ' A' ' 100' ' ' VAL . 89.2 mtt180 -76.57 73.2 3.28 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.229 -162.592 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 121' ' ' LYS . . . . . 0.469 ' HA ' ' HA ' ' A' ' 99' ' ' GLU . 39.8 ttmt -93.88 96.6 9.83 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.262 -171.329 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 122' ' ' TYR . . . . . . . . . . . . . 41.1 p90 -121.83 145.1 48.4 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.052 -0.522 . . . . 0.0 111.154 173.543 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 123' ' ' ARG . . . . . 0.404 ' HG3' HG22 ' A' ' 97' ' ' VAL . 9.9 mpt_? -94.11 159.51 15.12 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.264 -0.425 . . . . 0.0 111.175 -164.684 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 124' ' ' ILE . . . . . . . . . . . . . 68.1 mt -89.21 127.17 56.29 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.089 177.383 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 125' ' ' PRO . . . . . . . . . . . . . 81.8 Cg_exo -48.87 140.14 23.92 Favored 'Trans proline' 0 C--N 1.328 -0.539 0 C-N-CA 121.734 1.623 . . . . 0.0 111.192 174.024 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . -60.38 -16.43 35.41 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.142 -176.191 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 127' ' ' ASP . . . . . . . . . . . . . 78.0 m-20 -101.55 16.57 25.28 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.264 -0.425 . . . . 0.0 111.231 -177.736 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 128' ' ' VAL . . . . . . . . . . . . . 92.8 t -127.61 133.47 67.62 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.251 -179.569 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 64.8 t0 -85.47 118.43 70.69 Favored Pre-proline 0 C--N 1.328 -0.327 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.196 -176.186 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 130' ' ' PRO . . . . . . . . . . . . . 82.7 Cg_exo -52.62 -33.66 59.84 Favored 'Trans proline' 0 N--CA 1.458 -0.574 0 C-N-CA 121.676 1.584 . . . . 0.0 111.19 179.903 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 131' ' ' LEU . . . . . . . . . . . . . 95.8 mt -72.95 -22.27 60.74 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.197 -173.24 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 132' ' ' THR . . . . . . . . . . . . . 81.4 p -90.7 -4.05 57.03 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.147 -178.395 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 133' ' ' ILE . . . . . 0.424 ' HA ' ' HA3' ' A' ' 147' ' ' GLY . 99.3 mt -88.72 121.48 38.97 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.314 -0.403 . . . . 0.0 111.221 179.488 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 134' ' ' THR . . . . . . . . . . . . . 92.8 m -127.07 134.93 50.18 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.181 -178.805 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 135' ' ' SER . . . . . . . . . . . . . 79.5 p -89.57 159.13 17.35 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.305 -0.407 . . . . 0.0 111.274 178.343 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 136' ' ' SER . . . . . . . . . . . . . 43.4 t -159.47 122.39 3.58 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.224 179.345 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 137' ' ' LEU . . . . . . . . . . . . . 69.1 tp -102.25 120.61 40.76 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.216 -176.099 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 138' ' ' SER . . . . . . . . . . . . . 74.8 p -81.56 167.01 19.74 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.176 -177.227 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 139' ' ' SER . . . . . . . . . . . . . 86.1 p -69.6 -18.97 63.66 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.174 176.847 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 140' ' ' ASP . . . . . . . . . . . . . 91.5 m-20 -83.5 -7.16 59.59 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.168 176.602 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 141' ' ' GLY . . . . . 0.47 ' HA3' ' HA ' ' A' ' 82' ' ' LYS . . . 82.94 45.25 6.77 Favored Glycine 0 CA--C 1.524 0.633 0 N-CA-C 111.155 -0.778 . . . . 0.0 111.155 179.407 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 142' ' ' VAL . . . . . . . . . . . . . 67.6 t -118.83 113.98 43.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-O 120.729 0.3 . . . . 0.0 111.261 171.767 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 143' ' ' LEU . . . . . 0.476 ' HB3' ' HB2' ' A' ' 79' ' ' LEU . 38.1 tp -89.79 117.41 28.61 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.191 179.519 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 144' ' ' THR . . . . . 0.491 ' HA ' ' O ' ' A' ' 77' ' ' VAL . 99.9 m -107.74 109.51 21.1 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.217 -175.929 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 145' ' ' VAL . . . . . . . . . . . . . 62.6 t -106.63 109.54 28.41 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.389 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.246 -179.993 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 146' ' ' ASP . . . . . 0.484 ' C ' ' OD1' ' A' ' 146' ' ' ASP . 23.6 t0 -148.01 119.17 7.75 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.079 -161.54 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 147' ' ' GLY . . . . . 0.424 ' HA3' ' HA ' ' A' ' 133' ' ' ILE . . . -137.12 133.06 6.26 Favored Glycine 0 CA--C 1.525 0.71 0 N-CA-C 111.069 -0.812 . . . . 0.0 111.069 171.067 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 148' ' ' PRO . . . . . 0.428 ' HA ' ' HA ' ' A' ' 74' ' ' ARG . 50.1 Cg_exo -60.05 162.63 16.04 Favored 'Trans proline' 0 N--CA 1.458 -0.6 0 C-N-CA 121.657 1.572 . . . . 0.0 111.275 178.369 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 149' ' ' ARG . . . . . . . . . . . . . 95.8 mtt180 -58.26 168.78 0.97 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.282 -0.417 . . . . 0.0 111.215 179.194 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 150' ' ' LYS . . . . . . . . . . . . . 95.2 mttt -63.99 -27.2 68.96 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.094 167.422 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 151' ' ' GLN . . . . . . . . . . . . . 98.2 mt-30 -63.99 -37.23 86.66 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.187 178.774 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 152' ' ' VAL . . . . . . . . . . . . . 93.6 t . . . . . 0 C--O 1.22 -0.455 0 CA-C-O 118.003 -0.999 . . . . 0.0 111.149 179.973 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' B' B ' 64' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.522 0.498 0 N-CA-C 111.251 -0.74 . . . . 0.0 111.251 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' B' B ' 65' ' ' LEU . . . . . . . . . . . . . 99.3 mt -102.95 15.13 30.24 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.866 0.365 . . . . 0.0 111.273 179.355 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 66' ' ' SER . . . . . . . . . . . . . 79.1 p -141.61 27.25 1.88 Allowed 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.174 176.042 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 67' ' ' GLU . . . . . . . . . . . . . 89.2 tt0 -104.81 133.58 49.4 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.251 -168.942 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 68' ' ' MET . . . . . . . . . . . . . 65.0 ttp -102.25 132.63 48.07 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.291 166.91 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 69' ' ' ARG . . . . . . . . . . . . . 55.4 ttp180 -158.55 128.36 5.83 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.282 178.438 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 70' ' ' LEU . . . . . . . . . . . . . 65.6 tp -77.58 109.49 11.59 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.33 -0.395 . . . . 0.0 111.169 166.374 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 71' ' ' GLU . . . . . 0.476 ' O ' ' C ' ' B' ' 72' ' ' LYS . 79.3 mm-40 -69.06 -179.37 1.5 Allowed 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.214 179.097 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 72' ' ' LYS . . . . . 0.476 ' C ' ' O ' ' B' ' 71' ' ' GLU . 88.0 tttt -29.29 -60.02 0.14 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.17 177.561 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 73' ' ' ASP . . . . . . . . . . . . . 57.6 p-10 -146.53 46.49 1.21 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.114 176.354 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 74' ' ' ARG . . . . . 0.434 ' HA ' ' HA ' ' B' ' 148' ' ' PRO . 79.3 ttt180 -160.56 127.72 4.32 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.175 -175.767 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 75' ' ' PHE . . . . . . . . . . . . . 37.6 t80 -96.43 117.9 31.84 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.257 -178.049 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 76' ' ' SER . . . . . . . . . . . . . 89.8 p -132.73 147.89 52.33 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.121 -177.623 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 77' ' ' VAL . . . . . 0.484 ' O ' ' HA ' ' B' ' 144' ' ' THR . 87.3 t -139.85 136.29 38.82 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.217 179.207 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 78' ' ' ASN . . . . . . . . . . . . . 93.6 m-20 -105.61 147.04 28.89 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.279 -0.418 . . . . 0.0 111.262 166.011 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 79' ' ' LEU . . . . . 0.487 ' HB2' ' HB3' ' B' ' 143' ' ' LEU . 74.0 mt -143.07 146.36 33.73 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.208 -173.132 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 80' ' ' ASP . . . . . . . . . . . . . 58.9 t0 -82.13 113.21 19.83 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.154 -178.746 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 81' ' ' VAL . . . . . 0.732 HG12 ' O ' ' B' ' 81' ' ' VAL . 62.0 t -134.34 45.69 0.48 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.132 170.447 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 82' ' ' LYS . . . . . 0.481 ' HA ' ' HA3' ' B' ' 141' ' ' GLY . 98.5 mttt -78.14 -28.92 48.51 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.182 -165.778 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 83' ' ' HIS . . . . . . . . . . . . . 41.8 m80 -121.37 3.63 10.27 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.163 -162.601 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 84' ' ' PHE . . . . . 0.452 ' CD1' ' HB2' ' B' ' 104' ' ' HIS . 40.8 p90 -146.23 -179.11 6.51 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.192 177.354 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 85' ' ' SER . . . . . 0.453 ' HB3' ' HD2' ' B' ' 86' ' ' PRO . 69.4 m -128.88 166.75 22.79 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.224 -154.272 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 86' ' ' PRO . . . . . 0.454 ' HA ' ' HB3' ' B' ' 89' ' ' LEU . 86.5 Cg_exo -51.75 -30.42 37.56 Favored 'Trans proline' 0 N--CA 1.457 -0.621 0 C-N-CA 121.722 1.614 . . . . 0.0 111.267 177.765 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 87' ' ' GLU . . . . . . . . . . . . . 99.8 mt-10 -65.7 -35.06 79.66 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.092 -0.504 . . . . 0.0 111.186 -176.892 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 88' ' ' GLU . . . . . . . . . . . . . 93.8 mt-10 -103.49 -5.81 22.43 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.13 -0.487 . . . . 0.0 111.122 177.805 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 89' ' ' LEU . . . . . 0.454 ' HB3' ' HA ' ' B' ' 86' ' ' PRO . 46.6 tp -94.16 96.73 9.8 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.175 178.765 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 90' ' ' LYS . . . . . . . . . . . . . 98.8 mttt -95.61 74.6 3.22 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.128 -173.053 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 91' ' ' VAL . . . . . . . . . . . . . 97.6 t -61.27 102.68 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.302 -0.408 . . . . 0.0 111.147 174.758 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 92' ' ' LYS . . . . . . . . . . . . . 99.1 mttt -118.78 150.8 39.19 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.215 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 93' ' ' VAL . . . . . . . . . . . . . 34.9 m -129.02 152.65 37.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.192 171.295 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 94' ' ' LEU . . . . . 0.475 ' HB2' ' HB ' ' B' ' 97' ' ' VAL . 75.5 mt -133.31 74.5 1.57 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.073 -0.512 . . . . 0.0 111.207 179.134 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 95' ' ' GLY . . . . . . . . . . . . . . . 81.04 -104.54 2.35 Favored Glycine 0 CA--C 1.524 0.645 0 N-CA-C 111.219 -0.752 . . . . 0.0 111.219 179.927 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 96' ' ' ASP . . . . . . . . . . . . . 48.4 p-10 -97.64 29.97 3.12 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.704 0.288 . . . . 0.0 111.099 171.026 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 97' ' ' VAL . . . . . 0.475 ' HB ' ' HB2' ' B' ' 94' ' ' LEU . 97.3 t -124.46 139.9 49.34 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.366 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.179 -177.215 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 98' ' ' ILE . . . . . . . . . . . . . 64.0 mt -118.6 92.76 2.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.134 175.926 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 99' ' ' GLU . . . . . 0.476 ' HA ' ' HA ' ' B' ' 121' ' ' LYS . 84.5 tt0 -97.59 87.81 4.18 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.168 179.627 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 100' ' ' VAL . . . . . 0.503 ' HB ' ' HB2' ' B' ' 120' ' ' ARG . 58.7 t -78.04 73.14 0.55 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.381 0 CA-C-N 116.286 -0.415 . . . . 0.0 111.169 176.228 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 101' ' ' HIS . . . . . 0.64 ' O ' ' ND1' ' B' ' 101' ' ' HIS . 15.5 t-80 -60.67 75.53 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.183 175.231 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 102' ' ' GLY . . . . . 0.432 ' N ' ' O ' ' B' ' 100' ' ' VAL . . . -66.7 170.3 32.46 Favored Glycine 0 CA--C 1.523 0.592 0 N-CA-C 111.226 -0.749 . . . . 0.0 111.226 172.305 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 103' ' ' LYS . . . . . 0.429 ' HA ' ' HA ' ' B' ' 117' ' ' GLU . 37.9 ttpt -169.01 124.42 0.89 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.763 0.316 . . . . 0.0 111.151 174.548 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 104' ' ' HIS . . . . . 0.452 ' HB2' ' CD1' ' B' ' 84' ' ' PHE . 23.3 t-160 -111.09 108.34 18.02 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.273 163.094 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 105' ' ' GLU . . . . . . . . . . . . . 91.2 mt-10 -93.53 166.75 12.1 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.272 174.722 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 106' ' ' GLU . . . . . . . . . . . . . 95.0 mt-10 49.62 60.22 3.94 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.229 -179.654 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 107' ' ' ARG . . . . . 0.49 ' HB3' HG13 ' B' ' 114' ' ' ILE . 55.8 ttt85 -109.89 90.86 3.43 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.131 -173.001 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 108' ' ' GLN . . . . . . . . . . . . . 90.2 mt-30 -60.45 137.3 58.17 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.153 175.962 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 109' ' ' ASP . . . . . . . . . . . . . 56.3 p30 -154.5 -147.61 0.22 Allowed 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.174 177.249 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 110' ' ' GLU . . . . . . . . . . . . . 58.9 mp0 -67.16 -18.66 65.37 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.151 -174.544 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 111' ' ' HIS . . . . . . . . . . . . . 23.6 p-80 -135.14 94.58 3.15 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.091 174.916 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 112' ' ' GLY . . . . . . . . . . . . . . . 41.11 -139.38 1.54 Allowed Glycine 0 CA--C 1.523 0.535 0 N-CA-C 111.164 -0.774 . . . . 0.0 111.164 179.892 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 113' ' ' PHE . . . . . . . . . . . . . 66.8 m-85 -86.27 150.22 24.51 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 120.799 0.333 . . . . 0.0 111.294 -178.481 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 114' ' ' ILE . . . . . 0.49 HG13 ' HB3' ' B' ' 107' ' ' ARG . 34.0 pt -134.37 -161.61 0.28 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.169 161.149 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 115' ' ' SER . . . . . 0.448 ' O ' ' HA ' ' A' ' 118' ' ' PHE . 37.6 t -158.61 143.75 16.3 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.267 168.336 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 116' ' ' ARG . . . . . . . . . . . . . 69.4 mtm180 -111.34 84.29 1.92 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.171 175.957 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 117' ' ' GLU . . . . . 0.429 ' HA ' ' HA ' ' B' ' 103' ' ' LYS . 87.3 tt0 -95.44 117.08 29.72 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.079 -0.51 . . . . 0.0 111.278 179.835 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 118' ' ' PHE . . . . . 0.455 ' HA ' ' O ' ' A' ' 115' ' ' SER . 77.4 m-85 -102.68 157.92 16.6 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.284 -0.416 . . . . 0.0 111.144 -165.827 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 119' ' ' HIS . . . . . . . . . . . . . 79.5 m80 -130.87 66.1 1.54 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.136 164.641 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 120' ' ' ARG . . . . . 0.503 ' HB2' ' HB ' ' B' ' 100' ' ' VAL . 89.2 mtt180 -76.6 73.12 3.3 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.253 -162.598 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 121' ' ' LYS . . . . . 0.476 ' HA ' ' HA ' ' B' ' 99' ' ' GLU . 39.8 ttmt -93.85 96.61 9.85 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.099 -171.205 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 122' ' ' TYR . . . . . . . . . . . . . 41.5 p90 -121.76 145.11 48.36 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.195 173.35 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 123' ' ' ARG . . . . . 0.403 ' HG3' HG22 ' B' ' 97' ' ' VAL . 9.9 mpt_? -94.08 159.58 15.09 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.179 -164.733 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 124' ' ' ILE . . . . . . . . . . . . . 67.7 mt -89.24 127.1 56.49 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.178 177.382 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 125' ' ' PRO . . . . . 0.4 ' HB2' HG23 ' B' ' 128' ' ' VAL . 81.2 Cg_exo -48.86 140.18 23.81 Favored 'Trans proline' 0 N--CA 1.459 -0.542 0 C-N-CA 121.686 1.59 . . . . 0.0 111.227 174.097 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 126' ' ' ALA . . . . . . . . . . . . . . . -60.35 -16.35 34.35 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.259 -176.261 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 127' ' ' ASP . . . . . . . . . . . . . 77.9 m-20 -101.63 16.61 25.21 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.196 -177.736 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 128' ' ' VAL . . . . . 0.4 HG23 ' HB2' ' B' ' 125' ' ' PRO . 93.0 t -127.54 133.34 67.97 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.197 -179.48 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 129' ' ' ASP . . . . . . . . . . . . . 64.8 t0 -85.43 118.47 70.78 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.273 -176.361 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 130' ' ' PRO . . . . . . . . . . . . . 80.4 Cg_exo -52.56 -33.75 59.57 Favored 'Trans proline' 0 N--CA 1.458 -0.615 0 C-N-CA 121.638 1.559 . . . . 0.0 111.256 179.879 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 131' ' ' LEU . . . . . . . . . . . . . 95.7 mt -72.91 -22.21 60.78 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.228 -173.229 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 132' ' ' THR . . . . . . . . . . . . . 81.4 p -90.89 -3.85 57.02 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.225 -178.482 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 133' ' ' ILE . . . . . 0.433 ' HA ' ' HA3' ' B' ' 147' ' ' GLY . 99.6 mt -88.8 121.46 39.0 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.224 -0.443 . . . . 0.0 111.196 179.454 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 134' ' ' THR . . . . . . . . . . . . . 92.4 m -127.09 134.89 50.17 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.195 -178.804 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 135' ' ' SER . . . . . . . . . . . . . 79.1 p -89.63 159.13 17.3 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.233 178.392 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 136' ' ' SER . . . . . . . . . . . . . 43.4 t -159.45 122.46 3.6 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.2 179.371 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 137' ' ' LEU . . . . . . . . . . . . . 69.1 tp -102.31 120.5 40.59 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.232 -176.112 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 138' ' ' SER . . . . . . . . . . . . . 74.4 p -81.34 167.08 19.88 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.202 -177.279 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 139' ' ' SER . . . . . . . . . . . . . 86.3 p -69.84 -18.74 63.46 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.182 176.798 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 140' ' ' ASP . . . . . . . . . . . . . 91.5 m-20 -83.64 -7.06 59.58 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.181 176.476 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 141' ' ' GLY . . . . . 0.481 ' HA3' ' HA ' ' B' ' 82' ' ' LYS . . . 82.95 45.21 6.77 Favored Glycine 0 CA--C 1.524 0.628 0 N-CA-C 111.227 -0.749 . . . . 0.0 111.227 179.357 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 142' ' ' VAL . . . . . . . . . . . . . 67.9 t -118.84 113.87 42.99 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-O 120.778 0.323 . . . . 0.0 111.265 171.862 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 143' ' ' LEU . . . . . 0.487 ' HB3' ' HB2' ' B' ' 79' ' ' LEU . 38.0 tp -89.7 117.34 28.5 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.221 179.54 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 144' ' ' THR . . . . . 0.484 ' HA ' ' O ' ' B' ' 77' ' ' VAL . 99.0 m -107.73 109.38 20.95 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.238 -175.842 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 145' ' ' VAL . . . . . . . . . . . . . 61.6 t -106.59 109.47 28.16 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.396 0 CA-C-N 116.326 -0.397 . . . . 0.0 111.261 -179.93 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 146' ' ' ASP . . . . . 0.492 ' OD1' ' C ' ' B' ' 146' ' ' ASP . 23.6 t0 -147.98 119.05 7.69 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.203 -161.569 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 147' ' ' GLY . . . . . 0.433 ' HA3' ' HA ' ' B' ' 133' ' ' ILE . . . -136.99 133.01 6.25 Favored Glycine 0 CA--C 1.523 0.537 0 N-CA-C 111.19 -0.764 . . . . 0.0 111.19 171.131 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 148' ' ' PRO . . . . . 0.434 ' HA ' ' HA ' ' B' ' 74' ' ' ARG . 50.4 Cg_exo -60.04 162.62 16.03 Favored 'Trans proline' 0 N--CA 1.459 -0.52 0 C-N-CA 121.713 1.609 . . . . 0.0 111.249 178.404 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 149' ' ' ARG . . . . . . . . . . . . . 95.8 mtt180 -58.22 168.72 0.98 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.213 179.157 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 150' ' ' LYS . . . . . . . . . . . . . 95.4 mttt -63.95 -27.1 68.9 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.149 167.373 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 151' ' ' GLN . . . . . . . . . . . . . 98.2 mt-30 -64.02 -37.24 86.71 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.214 178.738 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 152' ' ' VAL . . . . . . . . . . . . . 94.5 t . . . . . 0 C--O 1.22 -0.456 0 CA-C-O 117.725 -1.131 . . . . 0.0 111.191 179.957 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.523 0.572 0 N-CA-C 111.22 -0.752 . . . . 0.0 111.22 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 82.9 mt -107.56 160.84 15.37 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.845 0.355 . . . . 0.0 111.171 -179.914 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 66' ' ' SER . . . . . 0.451 ' HB3' ' HB3' ' A' ' 78' ' ' ASN . 47.8 t -98.58 109.05 21.87 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.156 -172.959 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 87.5 tt0 -57.18 140.21 50.28 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.128 175.027 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 68' ' ' MET . . . . . . . . . . . . . 59.2 ttm -37.57 119.52 0.73 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.178 178.4 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 78.9 ttt180 -118.74 117.7 29.62 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.22 -178.101 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . 0.412 ' HG ' ' HB3' ' A' ' 75' ' ' PHE . 9.5 mp -81.31 113.26 19.3 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.257 -179.64 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 71' ' ' GLU . . . . . 0.635 ' O ' ' C ' ' A' ' 72' ' ' LYS . 81.4 mm-40 -85.32 178.48 7.46 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.163 170.089 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 72' ' ' LYS . . . . . 0.635 ' C ' ' O ' ' A' ' 71' ' ' GLU . 88.1 tttt -13.4 -70.44 0.01 OUTLIER 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.212 -177.019 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 57.4 p-10 -143.05 44.42 1.56 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.099 -0.5 . . . . 0.0 111.256 178.33 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 79.6 ttt180 -170.82 135.76 1.11 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.058 -0.519 . . . . 0.0 111.162 -175.917 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 75' ' ' PHE . . . . . 0.432 ' CZ ' HG13 ' A' ' 128' ' ' VAL . 39.2 p90 -112.52 159.04 19.19 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.15 -176.823 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 97.5 p -144.27 158.48 43.71 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.06 -0.518 . . . . 0.0 111.234 177.685 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 76.2 t -133.86 144.74 34.81 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.373 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.276 -176.882 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 78' ' ' ASN . . . . . 0.451 ' HB3' ' HB3' ' A' ' 66' ' ' SER . 40.4 t-20 -125.84 103.98 8.08 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.165 176.581 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 81.1 mt -116.02 152.62 33.19 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.141 176.823 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 60.1 t0 -101.93 113.72 27.18 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.184 -178.781 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 20.9 m -132.42 46.24 0.51 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.225 177.379 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 82' ' ' LYS . . . . . 0.405 ' O ' ' HB2' ' A' ' 83' ' ' HIS . 83.8 tttt -79.35 137.92 37.49 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.163 -0.472 . . . . 0.0 111.16 178.699 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 83' ' ' HIS . . . . . 0.405 ' HB2' ' O ' ' A' ' 82' ' ' LYS . 66.7 m-70 72.21 34.26 1.42 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.069 -0.514 . . . . 0.0 111.177 -175.991 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 84' ' ' PHE . . . . . . . . . . . . . 66.1 m-85 -122.84 145.64 48.26 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.27 172.783 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 85' ' ' SER . . . . . 0.426 ' O ' ' N ' ' A' ' 89' ' ' LEU . 74.4 m -109.9 151.0 42.14 Favored Pre-proline 0 C--N 1.327 -0.391 0 CA-C-N 116.288 -0.414 . . . . 0.0 111.252 178.087 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 86' ' ' PRO . . . . . 0.414 ' HD3' ' HA ' ' A' ' 85' ' ' SER . 71.7 Cg_exo -55.39 -26.13 51.66 Favored 'Trans proline' 0 N--CA 1.457 -0.641 0 C-N-CA 121.715 1.61 . . . . 0.0 111.294 179.137 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 99.8 mt-10 -66.72 -26.67 67.11 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.284 -179.766 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 80.6 mm-40 -121.78 -7.49 9.02 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.084 -0.507 . . . . 0.0 111.146 -178.95 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 89' ' ' LEU . . . . . 0.426 ' N ' ' O ' ' A' ' 85' ' ' SER . 64.0 tp -108.06 116.96 32.92 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.15 -175.828 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 98.9 mttt -122.54 146.0 47.81 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.226 -175.11 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 64.2 t -124.86 110.48 25.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.214 172.386 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 87.1 tttt -125.79 147.24 49.47 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.169 -171.517 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 93' ' ' VAL . . . . . 0.413 ' HA ' ' HA ' ' A' ' 98' ' ' ILE . 61.9 t -111.79 116.35 52.33 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.421 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.131 166.097 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 94' ' ' LEU . . . . . 0.452 ' HB3' HG23 ' A' ' 97' ' ' VAL . 68.9 tp -105.94 68.64 0.78 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.123 -0.489 . . . . 0.0 111.234 -172.41 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 79.41 -104.91 2.2 Favored Glycine 0 CA--C 1.523 0.591 0 N-CA-C 111.086 -0.805 . . . . 0.0 111.086 173.125 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 89.4 m-20 -88.21 -5.96 58.1 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 120.831 0.348 . . . . 0.0 111.261 -178.315 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 97' ' ' VAL . . . . . 0.452 HG23 ' HB3' ' A' ' 94' ' ' LEU . 28.9 m -123.11 164.85 20.05 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.171 178.824 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 98' ' ' ILE . . . . . 0.413 ' HA ' ' HA ' ' A' ' 93' ' ' VAL . 91.4 mt -113.78 96.31 4.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.176 175.485 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 86.5 tt0 -83.47 90.15 7.17 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.222 -172.494 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 100' ' ' VAL . . . . . . . . . . . . . 91.8 t -89.05 120.32 37.55 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.228 171.013 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 101' ' ' HIS . . . . . 0.532 ' N ' ' CD2' ' A' ' 101' ' ' HIS . 0.1 OUTLIER -143.62 130.63 20.58 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.17 -165.521 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . -134.25 -173.07 13.03 Favored Glycine 0 CA--C 1.524 0.647 0 N-CA-C 111.164 -0.774 . . . . 0.0 111.164 -171.485 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 103' ' ' LYS . . . . . 0.403 ' HA ' ' O ' ' A' ' 116' ' ' ARG . 87.5 tttt -170.58 120.18 0.57 Allowed 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 120.848 0.356 . . . . 0.0 111.219 172.087 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 104' ' ' HIS . . . . . . . . . . . . . 23.8 t-160 -119.66 111.49 18.11 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.358 -0.383 . . . . 0.0 111.16 170.851 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 99.8 mt-10 -81.18 -59.06 2.79 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.195 -166.443 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 106' ' ' GLU . . . . . 0.435 ' HA ' ' CD1' ' A' ' 113' ' ' PHE . 98.1 mt-10 -90.12 86.79 6.65 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.185 176.998 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 107' ' ' ARG . . . . . 0.503 ' HB3' HG13 ' A' ' 114' ' ' ILE . 59.7 ttt85 -122.7 85.32 2.4 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.133 -174.4 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 108' ' ' GLN . . . . . . . . . . . . . 68.6 tp60 -44.58 123.31 3.55 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.181 177.632 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 9.6 t0 -133.81 -157.87 0.84 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.2 -177.595 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 92.4 mt-10 -67.71 -31.74 71.89 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.18 177.705 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 111' ' ' HIS . . . . . . . . . . . . . 68.7 m80 -119.93 87.29 2.72 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.076 179.398 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 66.08 -133.47 33.99 Favored Glycine 0 CA--C 1.525 0.66 0 N-CA-C 111.143 -0.783 . . . . 0.0 111.143 -176.273 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 113' ' ' PHE . . . . . 0.435 ' CD1' ' HA ' ' A' ' 106' ' ' GLU . 22.9 p90 -118.96 148.62 42.76 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.71 0.291 . . . . 0.0 111.355 166.96 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 114' ' ' ILE . . . . . 0.503 HG13 ' HB3' ' A' ' 107' ' ' ARG . 45.6 pt -110.87 152.23 12.88 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.37 0 CA-C-N 116.311 -0.404 . . . . 0.0 111.175 -176.233 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 115' ' ' SER . . . . . 0.407 ' HB3' ' HB2' ' B' ' 119' ' ' HIS . 41.0 t -123.03 95.29 4.56 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.235 -0.438 . . . . 0.0 111.194 175.239 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 116' ' ' ARG . . . . . 0.403 ' O ' ' HA ' ' A' ' 103' ' ' LYS . 97.0 mtt180 -107.47 117.78 34.98 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.222 -171.843 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 88.9 tt0 -98.62 120.97 39.95 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.22 172.266 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 118' ' ' PHE . . . . . . . . . . . . . 91.9 m-85 -104.39 143.11 33.44 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.218 -166.029 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 119' ' ' HIS . . . . . 0.42 ' HB2' ' HB3' ' B' ' 115' ' ' SER . 49.0 m80 -133.85 156.39 48.16 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.304 -0.407 . . . . 0.0 111.252 155.599 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 120' ' ' ARG . . . . . 0.538 ' CG ' ' O ' ' A' ' 120' ' ' ARG . 13.3 ptp180 -155.64 104.39 2.35 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.172 168.225 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 121' ' ' LYS . . . . . . . . . . . . . 93.6 mttt -90.47 89.53 7.61 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.225 -179.377 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 122' ' ' TYR . . . . . . . . . . . . . 80.1 t80 -88.57 122.97 32.6 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.226 -174.775 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 123' ' ' ARG . . . . . . . . . . . . . 1.5 mpp_? -73.34 138.95 45.68 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.154 -170.55 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 124' ' ' ILE . . . . . . . . . . . . . 84.7 mt -91.34 115.13 63.81 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.298 -173.539 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 125' ' ' PRO . . . . . . . . . . . . . 52.1 Cg_exo -55.44 154.88 22.58 Favored 'Trans proline' 0 N--CA 1.459 -0.534 0 C-N-CA 121.655 1.57 . . . . 0.0 111.218 171.867 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . -64.8 -11.95 42.53 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.232 179.065 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 127' ' ' ASP . . . . . . . . . . . . . 78.9 m-20 -103.06 12.24 36.2 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.101 -0.5 . . . . 0.0 111.135 -179.393 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 128' ' ' VAL . . . . . 0.432 HG13 ' CZ ' ' A' ' 75' ' ' PHE . 54.7 t -122.03 138.6 51.74 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.396 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.268 -177.456 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 65.2 t0 -132.09 115.34 15.26 Favored Pre-proline 0 C--N 1.328 -0.357 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.186 -175.667 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 130' ' ' PRO . . . . . . . . . . . . . 90.1 Cg_endo -81.31 5.27 6.37 Favored 'Trans proline' 0 N--CA 1.458 -0.6 0 C-N-CA 121.616 1.544 . . . . 0.0 111.125 -173.826 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 131' ' ' LEU . . . . . . . . . . . . . 94.0 mt -99.12 3.24 46.57 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.175 173.204 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 132' ' ' THR . . . . . . . . . . . . . 69.6 p -114.49 8.37 16.45 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.207 -179.542 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 133' ' ' ILE . . . . . . . . . . . . . 43.3 pt -101.58 153.02 5.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.129 -170.49 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 134' ' ' THR . . . . . . . . . . . . . 62.7 m -134.29 91.29 2.78 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.216 172.475 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 135' ' ' SER . . . . . . . . . . . . . 76.9 p -65.16 157.34 29.0 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.224 179.562 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 136' ' ' SER . . . . . . . . . . . . . 43.3 t -171.67 146.95 2.22 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.216 -176.855 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 137' ' ' LEU . . . . . . . . . . . . . 7.2 mp -103.55 134.14 47.4 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.183 178.944 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 138' ' ' SER . . . . . . . . . . . . . 53.2 p -81.24 176.61 9.61 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.229 178.562 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 139' ' ' SER . . . . . . . . . . . . . 87.3 p -68.43 -16.12 63.79 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.189 175.334 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 140' ' ' ASP . . . . . . . . . . . . . 85.3 m-20 -95.92 -1.51 49.1 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.229 178.006 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 141' ' ' GLY . . . . . . . . . . . . . . . 83.07 33.88 22.48 Favored Glycine 0 CA--C 1.523 0.548 0 N-CA-C 111.277 -0.729 . . . . 0.0 111.277 178.699 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 142' ' ' VAL . . . . . . . . . . . . . 98.2 t -99.7 116.04 42.02 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-O 120.885 0.374 . . . . 0.0 111.114 178.847 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 143' ' ' LEU . . . . . . . . . . . . . 64.7 tp -78.92 121.5 24.96 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.176 176.866 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 144' ' ' THR . . . . . . . . . . . . . 87.0 m -119.36 96.08 5.06 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.212 -175.502 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 145' ' ' VAL . . . . . . . . . . . . . 65.0 t -91.22 118.41 36.46 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.369 0 CA-C-N 116.291 -0.413 . . . . 0.0 111.207 174.181 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 146' ' ' ASP . . . . . . . . . . . . . 3.6 p30 -151.1 142.08 23.0 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.182 -171.078 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 147' ' ' GLY . . . . . . . . . . . . . . . -171.54 151.99 16.68 Favored Glycine 0 CA--C 1.522 0.53 0 N-CA-C 111.228 -0.749 . . . . 0.0 111.228 -176.502 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 148' ' ' PRO . . . . . . . . . . . . . 76.1 Cg_exo -54.56 151.89 29.27 Favored 'Trans proline' 0 N--CA 1.458 -0.601 0 C-N-CA 121.724 1.616 . . . . 0.0 111.231 175.973 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 149' ' ' ARG . . . . . . . . . . . . . 98.4 mtt180 -57.3 166.74 1.09 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.213 -179.436 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 150' ' ' LYS . . . . . . . . . . . . . 83.1 tttt -67.69 -29.75 69.1 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.206 174.537 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 151' ' ' GLN . . . . . . . . . . . . . 83.5 mt-30 -62.29 -34.1 75.92 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.209 177.094 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 152' ' ' VAL . . . . . . . . . . . . . 88.1 t . . . . . 0 C--O 1.218 -0.58 0 CA-C-O 118.207 -0.901 . . . . 0.0 111.211 179.736 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' B' B ' 64' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.523 0.56 0 N-CA-C 111.272 -0.731 . . . . 0.0 111.272 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' B' B ' 65' ' ' LEU . . . . . . . . . . . . . 83.6 mt -107.55 160.75 15.44 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 120.82 0.343 . . . . 0.0 111.187 -179.906 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 66' ' ' SER . . . . . 0.438 ' HB3' ' HB3' ' B' ' 78' ' ' ASN . 47.9 t -98.6 109.06 21.88 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.197 -172.999 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 67' ' ' GLU . . . . . . . . . . . . . 87.4 tt0 -57.17 140.11 50.56 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.147 175.072 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 68' ' ' MET . . . . . . . . . . . . . 59.2 ttm -37.57 119.48 0.73 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.176 178.506 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 69' ' ' ARG . . . . . . . . . . . . . 78.9 ttt180 -118.74 117.78 29.82 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.16 -178.052 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 70' ' ' LEU . . . . . 0.41 ' HG ' ' HB3' ' B' ' 75' ' ' PHE . 9.5 mp -81.38 113.24 19.34 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.258 -179.681 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 71' ' ' GLU . . . . . 0.617 ' O ' ' C ' ' B' ' 72' ' ' LYS . 81.4 mm-40 -85.25 178.52 7.46 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.163 -0.472 . . . . 0.0 111.186 169.997 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 72' ' ' LYS . . . . . 0.617 ' C ' ' O ' ' B' ' 71' ' ' GLU . 88.1 tttt -13.6 -70.43 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.181 -176.883 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 73' ' ' ASP . . . . . . . . . . . . . 57.4 p-10 -142.83 44.4 1.59 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.284 -0.416 . . . . 0.0 111.278 178.326 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 74' ' ' ARG . . . . . . . . . . . . . 79.7 ttt180 -170.88 135.59 1.07 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.216 -175.767 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 75' ' ' PHE . . . . . 0.419 ' CZ ' HG13 ' B' ' 128' ' ' VAL . 39.3 p90 -112.36 159.08 19.04 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.201 -176.741 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 76' ' ' SER . . . . . . . . . . . . . 97.5 p -144.3 158.48 43.71 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.283 177.587 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 77' ' ' VAL . . . . . . . . . . . . . 75.6 t -133.85 144.73 34.84 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.17 -176.79 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 78' ' ' ASN . . . . . 0.438 ' HB3' ' HB3' ' B' ' 66' ' ' SER . 40.3 t-20 -125.84 103.97 8.07 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.324 176.414 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 79' ' ' LEU . . . . . . . . . . . . . 80.9 mt -115.97 152.52 33.34 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.223 176.888 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 80' ' ' ASP . . . . . . . . . . . . . 60.3 t0 -101.92 113.66 27.08 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.213 -178.787 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 81' ' ' VAL . . . . . . . . . . . . . 20.3 m -132.34 46.25 0.51 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.235 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.259 177.389 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 82' ' ' LYS . . . . . 0.416 ' O ' ' HB2' ' B' ' 83' ' ' HIS . 83.9 tttt -79.38 137.94 37.48 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.139 178.735 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 83' ' ' HIS . . . . . 0.416 ' HB2' ' O ' ' B' ' 82' ' ' LYS . 67.3 m-70 72.25 34.24 1.41 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.152 -176.072 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 84' ' ' PHE . . . . . 0.406 ' HB3' ' HB2' ' B' ' 89' ' ' LEU . 65.8 m-85 -122.88 145.59 48.32 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.298 172.737 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 85' ' ' SER . . . . . 0.413 ' O ' ' N ' ' B' ' 89' ' ' LEU . 74.2 m -109.82 151.07 42.14 Favored Pre-proline 0 C--N 1.328 -0.362 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.252 178.152 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 86' ' ' PRO . . . . . . . . . . . . . 72.1 Cg_exo -55.41 -26.2 52.19 Favored 'Trans proline' 0 N--CA 1.457 -0.622 0 C-N-CA 121.77 1.647 . . . . 0.0 111.197 179.158 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 87' ' ' GLU . . . . . . . . . . . . . 99.8 mt-10 -66.83 -26.51 66.96 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.251 -179.77 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 88' ' ' GLU . . . . . . . . . . . . . 80.7 mm-40 -121.84 -7.46 8.99 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.155 -179.019 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 89' ' ' LEU . . . . . 0.413 ' N ' ' O ' ' B' ' 85' ' ' SER . 64.3 tp -108.13 116.99 32.99 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.147 -175.859 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 90' ' ' LYS . . . . . . . . . . . . . 98.9 mttt -122.54 145.97 47.84 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.22 -175.007 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 91' ' ' VAL . . . . . . . . . . . . . 64.0 t -124.85 110.39 24.78 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.367 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.243 172.411 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 92' ' ' LYS . . . . . . . . . . . . . 87.1 tttt -125.73 147.3 49.42 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.139 -171.524 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 93' ' ' VAL . . . . . 0.41 ' HA ' ' HA ' ' B' ' 98' ' ' ILE . 61.5 t -111.78 116.35 52.3 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.187 166.069 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 94' ' ' LEU . . . . . 0.441 ' HB3' HG23 ' B' ' 97' ' ' VAL . 68.9 tp -105.97 68.63 0.78 Allowed 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.152 -172.352 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 95' ' ' GLY . . . . . . . . . . . . . . . 79.34 -104.69 2.17 Favored Glycine 0 CA--C 1.523 0.542 0 N-CA-C 111.202 -0.759 . . . . 0.0 111.202 173.13 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 96' ' ' ASP . . . . . . . . . . . . . 89.1 m-20 -88.3 -6.04 58.0 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-O 120.757 0.313 . . . . 0.0 111.159 -178.36 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 97' ' ' VAL . . . . . 0.441 HG23 ' HB3' ' B' ' 94' ' ' LEU . 27.7 m -123.13 164.96 19.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.303 -0.408 . . . . 0.0 111.182 178.771 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 98' ' ' ILE . . . . . 0.41 ' HA ' ' HA ' ' B' ' 93' ' ' VAL . 91.2 mt -113.84 96.41 4.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.176 175.499 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 99' ' ' GLU . . . . . . . . . . . . . 86.4 tt0 -83.49 90.0 7.15 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.181 -172.408 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 100' ' ' VAL . . . . . . . . . . . . . 92.7 t -89.0 120.35 37.53 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.31 170.977 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 101' ' ' HIS . . . . . 0.549 ' CD2' ' N ' ' B' ' 101' ' ' HIS . 0.1 OUTLIER -143.55 130.47 20.49 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.23 -165.393 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' B' B ' 102' ' ' GLY . . . . . . . . . . . . . . . -134.18 -173.17 13.07 Favored Glycine 0 CA--C 1.523 0.564 0 N-CA-C 111.259 -0.736 . . . . 0.0 111.259 -171.551 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 103' ' ' LYS . . . . . 0.404 ' HA ' ' O ' ' B' ' 116' ' ' ARG . 87.5 tttt -170.53 120.19 0.57 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.738 0.304 . . . . 0.0 111.185 171.996 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 104' ' ' HIS . . . . . . . . . . . . . 23.8 t-160 -119.61 111.61 18.28 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.253 170.783 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 105' ' ' GLU . . . . . . . . . . . . . 99.8 mt-10 -81.36 -58.89 2.84 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.298 -0.41 . . . . 0.0 111.211 -166.399 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 106' ' ' GLU . . . . . 0.434 ' HA ' ' CD1' ' B' ' 113' ' ' PHE . 98.1 mt-10 -90.17 86.93 6.67 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.159 176.962 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 107' ' ' ARG . . . . . 0.508 ' HB3' HG13 ' B' ' 114' ' ' ILE . 59.7 ttt85 -122.75 85.21 2.38 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.138 -174.42 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 108' ' ' GLN . . . . . . . . . . . . . 68.8 tp60 -44.47 123.36 3.53 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.216 177.579 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 109' ' ' ASP . . . . . . . . . . . . . 9.6 t0 -133.85 -157.89 0.84 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.151 -177.595 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 110' ' ' GLU . . . . . . . . . . . . . 92.2 mt-10 -67.73 -31.72 71.84 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.212 177.687 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 111' ' ' HIS . . . . . . . . . . . . . 68.0 m80 -119.87 87.15 2.69 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.219 179.29 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 112' ' ' GLY . . . . . . . . . . . . . . . 66.18 -133.47 33.72 Favored Glycine 0 CA--C 1.524 0.636 0 N-CA-C 111.09 -0.804 . . . . 0.0 111.09 -176.302 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 113' ' ' PHE . . . . . 0.434 ' CD1' ' HA ' ' B' ' 106' ' ' GLU . 23.0 p90 -118.95 148.66 42.71 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.742 0.305 . . . . 0.0 111.242 166.96 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 114' ' ' ILE . . . . . 0.508 HG13 ' HB3' ' B' ' 107' ' ' ARG . 45.7 pt -110.88 152.3 12.88 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.398 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.168 -176.324 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 115' ' ' SER . . . . . 0.42 ' HB3' ' HB2' ' A' ' 119' ' ' HIS . 40.8 t -123.09 95.27 4.54 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.075 -0.512 . . . . 0.0 111.052 175.388 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 116' ' ' ARG . . . . . 0.404 ' O ' ' HA ' ' B' ' 103' ' ' LYS . 97.0 mtt180 -107.47 117.74 34.89 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.227 -171.899 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 117' ' ' GLU . . . . . . . . . . . . . 88.8 tt0 -98.71 121.08 40.19 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.098 172.335 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 118' ' ' PHE . . . . . . . . . . . . . 91.9 m-85 -104.46 143.14 33.42 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.068 -0.515 . . . . 0.0 111.178 -166.055 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 119' ' ' HIS . . . . . 0.409 ' O ' ' HA ' ' A' ' 114' ' ' ILE . 49.1 m80 -133.87 156.27 48.38 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.185 155.707 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 120' ' ' ARG . . . . . 0.549 ' CG ' ' O ' ' B' ' 120' ' ' ARG . 13.3 ptp180 -155.56 104.37 2.36 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.328 168.06 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 121' ' ' LYS . . . . . . . . . . . . . 93.5 mttt -90.37 89.5 7.63 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.3 -179.318 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 122' ' ' TYR . . . . . . . . . . . . . 80.5 t80 -88.47 122.81 32.36 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.327 -174.755 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 123' ' ' ARG . . . . . . . . . . . . . 1.5 mpp_? -73.09 138.91 46.12 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.17 -170.521 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 124' ' ' ILE . . . . . . . . . . . . . 84.8 mt -91.52 115.36 64.33 Favored Pre-proline 0 C--N 1.328 -0.343 0 CA-C-N 116.275 -0.421 . . . . 0.0 111.168 -173.521 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 125' ' ' PRO . . . . . . . . . . . . . 51.8 Cg_exo -55.48 154.93 22.57 Favored 'Trans proline' 0 N--CA 1.459 -0.553 0 C-N-CA 121.747 1.631 . . . . 0.0 111.15 171.916 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 126' ' ' ALA . . . . . . . . . . . . . . . -64.86 -12.01 43.89 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.181 178.999 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 127' ' ' ASP . . . . . . . . . . . . . 78.8 m-20 -103.04 12.18 36.3 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.189 -179.336 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 128' ' ' VAL . . . . . 0.419 HG13 ' CZ ' ' B' ' 75' ' ' PHE . 54.7 t -122.02 138.57 51.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.241 -177.472 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 129' ' ' ASP . . . . . . . . . . . . . 65.1 t0 -132.04 115.31 15.31 Favored Pre-proline 0 C--N 1.327 -0.387 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.28 -175.713 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 130' ' ' PRO . . . . . . . . . . . . . 91.9 Cg_endo -81.28 5.21 6.41 Favored 'Trans proline' 0 N--CA 1.457 -0.643 0 C-N-CA 121.668 1.578 . . . . 0.0 111.171 -173.689 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 131' ' ' LEU . . . . . . . . . . . . . 94.0 mt -98.99 3.1 46.88 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.191 173.197 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 132' ' ' THR . . . . . . . . . . . . . 69.0 p -114.39 8.39 16.59 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.269 -179.553 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 133' ' ' ILE . . . . . . . . . . . . . 43.2 pt -101.63 152.98 5.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.141 -170.525 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 134' ' ' THR . . . . . . . . . . . . . 63.7 m -134.34 91.35 2.78 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.241 172.449 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 135' ' ' SER . . . . . . . . . . . . . 77.3 p -65.26 157.33 29.26 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.187 179.59 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 136' ' ' SER . . . . . . . . . . . . . 43.0 t -171.65 146.98 2.24 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.104 -176.805 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 137' ' ' LEU . . . . . . . . . . . . . 7.2 mp -103.62 134.17 47.41 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.175 178.955 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 138' ' ' SER . . . . . . . . . . . . . 53.1 p -81.32 176.58 9.61 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.275 -0.42 . . . . 0.0 111.204 178.586 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 139' ' ' SER . . . . . . . . . . . . . 87.3 p -68.41 -16.11 63.8 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.151 175.425 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 140' ' ' ASP . . . . . . . . . . . . . 85.3 m-20 -95.85 -1.52 49.32 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.282 177.889 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 141' ' ' GLY . . . . . . . . . . . . . . . 83.15 33.91 22.16 Favored Glycine 0 CA--C 1.523 0.577 0 N-CA-C 111.2 -0.76 . . . . 0.0 111.2 178.612 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 142' ' ' VAL . . . . . . . . . . . . . 99.9 t -99.8 116.15 42.42 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.237 0 CA-C-O 120.858 0.361 . . . . 0.0 111.146 178.791 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 143' ' ' LEU . . . . . . . . . . . . . 64.9 tp -78.93 121.71 25.23 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.127 176.902 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 144' ' ' THR . . . . . . . . . . . . . 85.7 m -119.57 96.05 5.04 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.235 -175.561 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 145' ' ' VAL . . . . . . . . . . . . . 64.6 t -91.15 118.5 36.54 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.271 174.174 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 146' ' ' ASP . . . . . . . . . . . . . 3.6 p30 -151.15 141.98 22.86 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.255 -171.072 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 147' ' ' GLY . . . . . . . . . . . . . . . -171.39 152.04 16.96 Favored Glycine 0 CA--C 1.523 0.558 0 N-CA-C 111.181 -0.767 . . . . 0.0 111.181 -176.436 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 148' ' ' PRO . . . . . . . . . . . . . 76.3 Cg_exo -54.57 151.86 29.39 Favored 'Trans proline' 0 N--CA 1.459 -0.551 0 C-N-CA 121.735 1.624 . . . . 0.0 111.178 175.937 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 149' ' ' ARG . . . . . . . . . . . . . 98.4 mtt180 -57.15 166.56 1.07 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.32 -179.583 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 150' ' ' LYS . . . . . . . . . . . . . 83.2 tttt -67.81 -29.42 68.58 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.323 -0.398 . . . . 0.0 111.306 174.547 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 151' ' ' GLN . . . . . . . . . . . . . 83.5 mt-30 -62.51 -34.07 76.16 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.124 176.996 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 152' ' ' VAL . . . . . . . . . . . . . 88.1 t . . . . . 0 C--O 1.22 -0.455 0 CA-C-O 117.849 -1.072 . . . . 0.0 111.157 179.763 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.523 0.575 0 N-CA-C 111.201 -0.76 . . . . 0.0 111.201 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 90.0 mt -97.97 160.29 14.39 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.828 0.346 . . . . 0.0 111.225 -179.853 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 42.6 t -61.15 133.34 55.88 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.233 -178.104 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 85.6 tt0 -61.55 130.34 45.47 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.206 179.84 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 68' ' ' MET . . . . . . . . . . . . . 27.0 ptm -153.95 159.4 41.68 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.102 178.968 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 79.1 ttt180 -127.75 82.66 2.1 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.177 -178.133 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . 0.406 HD12 ' O ' ' A' ' 74' ' ' ARG . 57.9 tp -100.67 112.1 24.45 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.264 173.544 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 91.2 mt-10 -114.56 -149.85 0.45 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.305 -178.883 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 98.5 mttt -73.01 -28.47 62.38 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.2 176.575 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 56.1 p-10 -151.89 33.79 0.54 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.155 179.532 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 74' ' ' ARG . . . . . 0.406 ' O ' HD12 ' A' ' 70' ' ' LEU . 91.3 mmt-85 -135.3 153.74 51.78 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.307 -0.406 . . . . 0.0 111.262 178.876 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 75' ' ' PHE . . . . . . . . . . . . . 57.6 t80 -163.88 119.69 1.63 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.307 -0.406 . . . . 0.0 111.275 175.473 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 40.4 t -146.29 143.65 29.3 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.267 -179.342 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 99.0 t -124.49 121.42 61.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.21 -175.137 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 57.0 t-20 -89.81 113.99 25.64 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.168 175.651 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 63.3 mt -113.2 146.36 39.43 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.246 -176.52 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 67.6 t0 -102.87 107.05 17.75 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.157 -172.178 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 30.4 m -147.55 34.3 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.273 176.012 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 98.7 mttt -65.4 -21.41 66.67 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.114 -168.776 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 73.8 m80 -94.75 0.29 54.84 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.309 -0.405 . . . . 0.0 111.187 -172.853 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 84' ' ' PHE . . . . . . . . . . . . . 13.1 m-85 -107.2 169.22 8.69 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.177 -169.675 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 72.6 m -104.74 157.45 34.14 Favored Pre-proline 0 C--N 1.33 -0.277 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.114 173.065 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 72.6 Cg_exo -54.09 -33.48 74.04 Favored 'Trans proline' 0 N--CA 1.457 -0.628 0 C-N-CA 121.666 1.578 . . . . 0.0 111.232 177.378 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 99.4 mt-10 -78.38 -21.81 48.83 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.207 179.089 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 95.2 mt-10 -85.14 -17.06 38.42 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.16 176.464 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 89' ' ' LEU . . . . . 0.486 ' HA ' HD12 ' A' ' 89' ' ' LEU . 0.0 OUTLIER -96.04 103.92 15.84 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.229 -0.442 . . . . 0.0 111.215 -176.868 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 99.2 mttt -95.19 69.36 3.16 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.222 172.765 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 75.5 t -73.53 109.1 5.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.244 -176.734 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 98.6 mttt -124.95 165.04 18.82 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.197 -170.572 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 33.8 m -127.13 154.49 37.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.236 168.977 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 94' ' ' LEU . . . . . 0.478 ' HB2' ' CG2' ' A' ' 97' ' ' VAL . 82.7 mt -127.85 67.1 1.34 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.169 177.999 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 92.36 -92.78 1.71 Allowed Glycine 0 CA--C 1.524 0.638 0 N-CA-C 111.232 -0.747 . . . . 0.0 111.232 178.097 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 46.3 p-10 -115.91 23.61 12.11 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.798 0.332 . . . . 0.0 111.229 177.615 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 97' ' ' VAL . . . . . 0.478 ' CG2' ' HB2' ' A' ' 94' ' ' LEU . 22.2 m -133.02 165.04 33.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.118 176.225 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 98' ' ' ILE . . . . . . . . . . . . . 64.5 mt -121.9 86.75 1.05 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.126 -174.896 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 39.7 tt0 -74.92 94.03 2.76 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.24 -179.114 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 100' ' ' VAL . . . . . 0.516 ' HB ' ' HB2' ' A' ' 120' ' ' ARG . 46.6 t -81.26 103.41 8.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.297 -0.411 . . . . 0.0 111.276 178.549 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 101' ' ' HIS . . . . . 0.477 ' O ' ' CD2' ' A' ' 101' ' ' HIS . 7.9 t-160 -102.83 64.58 0.87 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.108 -172.523 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . -76.27 153.41 43.04 Favored Glycine 0 CA--C 1.523 0.546 0 N-CA-C 111.166 -0.774 . . . . 0.0 111.166 175.928 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 103' ' ' LYS . . . . . 0.503 ' HA ' ' HA ' ' A' ' 117' ' ' GLU . 86.0 tttt -153.58 114.56 4.09 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.806 0.336 . . . . 0.0 111.156 -170.946 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 104' ' ' HIS . . . . . . . . . . . . . 13.9 m170 -81.71 155.56 25.47 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.293 157.42 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 88.6 tt0 -151.45 132.01 13.9 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.225 170.525 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 95.1 mt-10 58.75 54.63 5.13 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.123 -175.551 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 23.6 ttt180 -114.38 105.98 13.77 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.99 0.424 . . . . 0.0 111.133 -174.913 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 108' ' ' GLN . . . . . . . . . . . . . 65.4 tp60 -66.45 106.73 1.83 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.178 178.467 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 51.6 p-10 -116.54 -147.73 0.42 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.196 176.371 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 15.8 pm0 -66.47 -27.76 68.05 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.338 -177.695 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 111' ' ' HIS . . . . . . . . . . . . . 95.6 m-70 -96.97 -52.19 3.96 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.18 -177.399 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 173.56 -159.01 28.67 Favored Glycine 0 CA--C 1.523 0.573 0 N-CA-C 111.194 -0.763 . . . . 0.0 111.194 -166.711 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 113' ' ' PHE . . . . . 0.442 ' HB2' ' HB3' ' B' ' 121' ' ' LYS . 65.8 m-85 -84.93 96.66 9.42 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.732 0.301 . . . . 0.0 111.244 177.756 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 114' ' ' ILE . . . . . 0.432 HG22 ' HA ' ' B' ' 120' ' ' ARG . 26.7 pt -89.0 164.61 2.18 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.362 0 CA-C-N 116.297 -0.41 . . . . 0.0 111.135 -172.666 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 31.1 t -142.25 92.12 2.4 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.066 -0.516 . . . . 0.0 111.208 164.788 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 116' ' ' ARG . . . . . 0.718 ' O ' ' HG3' ' A' ' 116' ' ' ARG . 32.1 ptt180 -108.72 75.77 0.98 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.185 -164.649 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 117' ' ' GLU . . . . . 0.503 ' HA ' ' HA ' ' A' ' 103' ' ' LYS . 14.0 pt-20 -72.54 148.29 45.13 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.196 175.553 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 118' ' ' PHE . . . . . 0.421 ' HB3' ' HG3' ' A' ' 120' ' ' ARG . 52.5 m-85 -117.08 169.29 9.55 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.238 -174.6 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 119' ' ' HIS . . . . . . . . . . . . . 78.3 m80 -143.46 60.9 1.39 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.225 163.063 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 120' ' ' ARG . . . . . 0.516 ' HB2' ' HB ' ' A' ' 100' ' ' VAL . 96.6 mtt180 -75.93 85.2 2.86 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.202 -165.211 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 121' ' ' LYS . . . . . 0.435 ' HB3' ' HB2' ' B' ' 113' ' ' PHE . 41.3 ttmt -67.12 76.87 0.14 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.169 -177.259 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 122' ' ' TYR . . . . . 0.469 ' CD1' ' C ' ' A' ' 122' ' ' TYR . 1.8 t80 -80.18 104.98 11.11 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.273 -177.848 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 123' ' ' ARG . . . . . . . . . . . . . 57.7 mtm180 -86.9 139.36 30.71 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.216 -158.362 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 124' ' ' ILE . . . . . . . . . . . . . 78.3 mt -90.8 131.03 38.72 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.186 -173.497 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 125' ' ' PRO . . . . . . . . . . . . . 84.1 Cg_exo -49.9 144.48 21.08 Favored 'Trans proline' 0 N--CA 1.458 -0.596 0 C-N-CA 121.709 1.606 . . . . 0.0 111.193 175.508 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . -64.35 -11.63 34.4 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.139 -179.578 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 127' ' ' ASP . . . . . . . . . . . . . 82.4 m-20 -99.4 11.12 40.0 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.303 -0.408 . . . . 0.0 111.234 -179.774 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 128' ' ' VAL . . . . . 0.417 ' HA ' ' HA ' ' A' ' 149' ' ' ARG . 73.9 t -125.37 136.42 60.89 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.246 -178.964 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 59.9 t0 -86.92 117.24 68.36 Favored Pre-proline 0 C--N 1.329 -0.326 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.216 -174.344 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 130' ' ' PRO . . . . . . . . . . . . . 72.2 Cg_endo -76.78 -7.87 17.73 Favored 'Trans proline' 0 N--CA 1.458 -0.563 0 C-N-CA 121.65 1.567 . . . . 0.0 111.238 -173.522 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 131' ' ' LEU . . . . . . . . . . . . . 92.9 mt -99.43 6.27 46.05 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.127 -177.77 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 132' ' ' THR . . . . . . . . . . . . . 66.8 p -123.38 13.05 9.49 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.228 -178.995 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 133' ' ' ILE . . . . . . . . . . . . . 37.7 pt -97.1 146.23 7.84 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.137 -179.572 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 134' ' ' THR . . . . . . . . . . . . . 89.6 m -139.38 97.39 3.27 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.138 -176.838 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 135' ' ' SER . . . . . 0.458 ' HA ' ' HA ' ' A' ' 145' ' ' VAL . 66.3 p -66.56 156.08 35.97 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.273 173.359 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 136' ' ' SER . . . . . . . . . . . . . 97.5 p -164.24 157.9 18.35 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.18 -179.853 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 137' ' ' LEU . . . . . . . . . . . . . 94.2 mt -114.77 152.78 31.52 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.075 -177.411 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 138' ' ' SER . . . . . . . . . . . . . 28.4 p -108.05 -179.52 3.92 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.239 175.813 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 139' ' ' SER . . . . . . . . . . . . . 86.7 p -69.25 -17.22 63.73 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.287 -0.415 . . . . 0.0 111.121 176.036 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 140' ' ' ASP . . . . . . . . . . . . . 85.4 m-20 -97.71 -6.24 33.42 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.053 178.823 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 141' ' ' GLY . . . . . . . . . . . . . . . 88.85 25.33 29.91 Favored Glycine 0 CA--C 1.524 0.619 0 N-CA-C 111.294 -0.722 . . . . 0.0 111.294 -179.761 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 142' ' ' VAL . . . . . . . . . . . . . 98.4 t -81.03 104.17 9.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-O 120.885 0.374 . . . . 0.0 111.147 179.329 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 143' ' ' LEU . . . . . . . . . . . . . 60.4 tp -87.68 120.96 29.52 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.244 178.514 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 144' ' ' THR . . . . . . . . . . . . . 91.0 m -133.52 117.63 17.36 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.299 179.067 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 145' ' ' VAL . . . . . 0.458 ' HA ' ' HA ' ' A' ' 135' ' ' SER . 7.4 p -110.68 135.15 50.67 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.115 174.889 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 146' ' ' ASP . . . . . 0.51 ' OD1' ' O ' ' A' ' 146' ' ' ASP . 20.2 p30 -162.08 143.21 10.67 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.212 -164.977 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 147' ' ' GLY . . . . . 0.434 ' HA2' ' HD3' ' A' ' 148' ' ' PRO . . . -166.36 149.04 14.44 Favored Glycine 0 CA--C 1.522 0.518 0 N-CA-C 111.256 -0.738 . . . . 0.0 111.256 -175.617 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 148' ' ' PRO . . . . . 0.434 ' HD3' ' HA2' ' A' ' 147' ' ' GLY . 88.8 Cg_exo -56.68 147.07 73.32 Favored 'Trans proline' 0 N--CA 1.458 -0.567 0 C-N-CA 121.714 1.609 . . . . 0.0 111.247 -177.416 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 149' ' ' ARG . . . . . 0.417 ' HA ' ' HA ' ' A' ' 128' ' ' VAL . 67.7 mtp180 -59.4 171.64 0.77 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.225 173.338 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 150' ' ' LYS . . . . . . . . . . . . . 97.6 mttt -76.61 -22.95 53.49 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.191 169.117 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 151' ' ' GLN . . . . . . . . . . . . . 99.9 mm-40 -96.08 -1.04 49.49 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.108 179.766 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 152' ' ' VAL . . . . . . . . . . . . . 14.2 p . . . . . 0 C--O 1.22 -0.467 0 CA-C-O 117.862 -1.066 . . . . 0.0 111.179 178.259 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' B' B ' 64' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.524 0.61 0 N-CA-C 111.116 -0.794 . . . . 0.0 111.116 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' B' B ' 65' ' ' LEU . . . . . . . . . . . . . 90.6 mt -97.95 160.35 14.36 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 120.875 0.369 . . . . 0.0 111.131 -179.775 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 66' ' ' SER . . . . . . . . . . . . . 42.2 t -61.29 133.4 55.84 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.157 -178.065 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 67' ' ' GLU . . . . . . . . . . . . . 85.6 tt0 -61.54 130.27 45.17 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.202 179.82 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 68' ' ' MET . . . . . . . . . . . . . 27.0 ptm -153.81 159.49 41.88 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.088 178.958 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 69' ' ' ARG . . . . . . . . . . . . . 79.1 ttt180 -127.78 82.67 2.1 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.112 -178.173 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 70' ' ' LEU . . . . . 0.41 HD12 ' O ' ' B' ' 74' ' ' ARG . 57.5 tp -100.76 112.27 24.64 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.182 173.565 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 71' ' ' GLU . . . . . . . . . . . . . 91.4 mt-10 -114.7 -149.79 0.45 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.162 -178.818 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 72' ' ' LYS . . . . . . . . . . . . . 98.5 mttt -73.08 -28.47 62.31 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.215 176.654 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 73' ' ' ASP . . . . . . . . . . . . . 55.9 p-10 -151.89 33.76 0.54 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.067 -0.515 . . . . 0.0 111.105 179.546 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 74' ' ' ARG . . . . . 0.41 ' O ' HD12 ' B' ' 70' ' ' LEU . 91.3 mmt-85 -135.19 153.76 51.84 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.314 -0.403 . . . . 0.0 111.278 178.735 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 75' ' ' PHE . . . . . 0.404 ' HB3' ' O ' ' B' ' 147' ' ' GLY . 58.2 t80 -163.79 119.82 1.66 Allowed 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.288 175.411 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 76' ' ' SER . . . . . . . . . . . . . 40.4 t -146.37 143.72 29.26 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.119 -179.266 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 77' ' ' VAL . . . . . . . . . . . . . 99.1 t -124.68 121.27 60.96 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.368 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.229 -175.196 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 78' ' ' ASN . . . . . . . . . . . . . 56.8 t-20 -89.64 114.1 25.66 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.086 -0.506 . . . . 0.0 111.198 175.601 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 79' ' ' LEU . . . . . . . . . . . . . 64.0 mt -113.28 146.35 39.52 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.162 -176.523 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 80' ' ' ASP . . . . . . . . . . . . . 67.6 t0 -102.86 107.04 17.74 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.118 -172.161 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 81' ' ' VAL . . . . . . . . . . . . . 30.2 m -147.55 34.17 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.257 176.061 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 82' ' ' LYS . . . . . . . . . . . . . 98.8 mttt -65.23 -21.45 66.75 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.307 -168.837 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 83' ' ' HIS . . . . . . . . . . . . . 73.8 m80 -94.68 0.17 54.84 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.209 -172.839 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 84' ' ' PHE . . . . . . . . . . . . . 13.1 m-85 -107.14 169.22 8.69 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.21 -169.645 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 85' ' ' SER . . . . . . . . . . . . . 73.0 m -104.68 157.35 34.32 Favored Pre-proline 0 C--N 1.328 -0.368 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.231 172.991 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 86' ' ' PRO . . . . . . . . . . . . . 73.6 Cg_exo -54.14 -33.34 73.98 Favored 'Trans proline' 0 N--CA 1.458 -0.588 0 C-N-CA 121.611 1.541 . . . . 0.0 111.24 177.408 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 87' ' ' GLU . . . . . . . . . . . . . 99.4 mt-10 -78.39 -21.86 48.72 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.202 179.012 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 88' ' ' GLU . . . . . . . . . . . . . 95.2 mt-10 -85.1 -17.06 38.49 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.202 176.429 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 89' ' ' LEU . . . . . 0.452 HD12 ' HA ' ' B' ' 89' ' ' LEU . 0.0 OUTLIER -96.07 103.96 15.88 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.142 -176.82 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' B' B ' 90' ' ' LYS . . . . . . . . . . . . . 99.3 mttt -95.29 69.47 3.13 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.285 172.712 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 91' ' ' VAL . . . . . . . . . . . . . 75.2 t -73.47 109.09 5.41 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.367 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.098 -176.604 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 92' ' ' LYS . . . . . . . . . . . . . 98.6 mttt -125.05 165.12 18.75 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.172 -170.712 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 93' ' ' VAL . . . . . . . . . . . . . 33.9 m -127.23 154.53 37.6 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.305 168.901 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 94' ' ' LEU . . . . . 0.468 ' HB2' ' CG2' ' B' ' 97' ' ' VAL . 83.0 mt -127.79 67.26 1.33 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.181 178.045 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 95' ' ' GLY . . . . . . . . . . . . . . . 92.27 -92.79 1.72 Allowed Glycine 0 CA--C 1.522 0.525 0 N-CA-C 111.207 -0.757 . . . . 0.0 111.207 178.078 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 96' ' ' ASP . . . . . . . . . . . . . 46.3 p-10 -115.94 23.61 12.1 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.814 0.34 . . . . 0.0 111.189 177.714 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 97' ' ' VAL . . . . . 0.468 ' CG2' ' HB2' ' B' ' 94' ' ' LEU . 22.2 m -133.11 165.03 33.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.154 176.139 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 98' ' ' ILE . . . . . . . . . . . . . 64.8 mt -121.91 86.88 1.06 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.181 -174.89 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 99' ' ' GLU . . . . . . . . . . . . . 39.7 tt0 -75.02 94.06 2.81 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.245 -179.053 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 100' ' ' VAL . . . . . 0.538 ' HB ' ' HB2' ' B' ' 120' ' ' ARG . 46.8 t -81.31 103.45 8.4 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.396 0 CA-C-N 116.266 -0.424 . . . . 0.0 111.102 178.703 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 101' ' ' HIS . . . . . 0.47 ' O ' ' CD2' ' B' ' 101' ' ' HIS . 7.9 t-160 -102.86 64.6 0.87 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.178 -172.705 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 102' ' ' GLY . . . . . . . . . . . . . . . -76.27 153.39 43.0 Favored Glycine 0 CA--C 1.523 0.564 0 N-CA-C 111.176 -0.769 . . . . 0.0 111.176 175.84 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 103' ' ' LYS . . . . . 0.484 ' HA ' ' HA ' ' B' ' 117' ' ' GLU . 85.9 tttt -153.56 114.59 4.1 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.938 0.399 . . . . 0.0 111.144 -170.915 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 104' ' ' HIS . . . . . . . . . . . . . 13.7 m170 -81.73 155.62 25.42 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.16 157.507 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 105' ' ' GLU . . . . . . . . . . . . . 88.6 tt0 -151.44 132.08 13.96 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.245 170.434 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 106' ' ' GLU . . . . . . . . . . . . . 95.1 mt-10 58.73 54.54 5.21 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.117 -175.587 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 107' ' ' ARG . . . . . . . . . . . . . 23.5 ttt180 -114.13 105.79 13.61 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.255 -0.429 . . . . 0.0 111.222 -174.98 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 108' ' ' GLN . . . . . . . . . . . . . 65.6 tp60 -66.32 106.84 1.81 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.297 178.294 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 109' ' ' ASP . . . . . . . . . . . . . 51.6 p-10 -116.51 -147.77 0.42 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.162 176.419 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 110' ' ' GLU . . . . . . . . . . . . . 15.6 pm0 -66.64 -27.79 67.96 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.069 -0.514 . . . . 0.0 111.173 -177.572 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 111' ' ' HIS . . . . . . . . . . . . . 95.4 m-70 -96.89 -52.22 3.97 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.205 -177.393 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 112' ' ' GLY . . . . . . . . . . . . . . . 173.55 -159.09 28.8 Favored Glycine 0 CA--C 1.524 0.627 0 N-CA-C 111.209 -0.756 . . . . 0.0 111.209 -166.768 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 113' ' ' PHE . . . . . 0.435 ' HB2' ' HB3' ' A' ' 121' ' ' LYS . 66.2 m-85 -84.85 96.72 9.4 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.775 0.322 . . . . 0.0 111.324 177.725 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 114' ' ' ILE . . . . . 0.432 HG22 ' HA ' ' A' ' 120' ' ' ARG . 26.3 pt -88.97 164.62 2.18 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.366 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.174 -172.635 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 115' ' ' SER . . . . . . . . . . . . . 30.9 t -142.29 92.02 2.39 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.159 164.876 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 116' ' ' ARG . . . . . 0.714 ' O ' ' HG3' ' B' ' 116' ' ' ARG . 32.0 ptt180 -108.64 75.72 0.98 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.103 -0.499 . . . . 0.0 111.247 -164.689 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 117' ' ' GLU . . . . . 0.484 ' HA ' ' HA ' ' B' ' 103' ' ' LYS . 13.9 pt-20 -72.66 148.44 44.78 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.198 175.621 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 118' ' ' PHE . . . . . 0.417 ' HB3' ' HG3' ' B' ' 120' ' ' ARG . 52.4 m-85 -117.21 169.24 9.62 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.141 -174.501 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 119' ' ' HIS . . . . . . . . . . . . . 78.1 m80 -143.35 60.87 1.4 Allowed 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.248 163.03 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 120' ' ' ARG . . . . . 0.538 ' HB2' ' HB ' ' B' ' 100' ' ' VAL . 96.7 mtt180 -75.9 85.37 2.84 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.142 -165.24 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 121' ' ' LYS . . . . . 0.442 ' HB3' ' HB2' ' A' ' 113' ' ' PHE . 41.3 ttmt -67.26 76.81 0.15 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.306 -177.328 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 122' ' ' TYR . . . . . 0.461 ' CD1' ' C ' ' B' ' 122' ' ' TYR . 1.8 t80 -80.02 104.91 10.91 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.184 -177.77 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 123' ' ' ARG . . . . . . . . . . . . . 57.8 mtm180 -86.95 139.24 30.8 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.203 -158.478 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 124' ' ' ILE . . . . . . . . . . . . . 78.4 mt -90.68 131.08 38.81 Favored Pre-proline 0 C--N 1.33 -0.249 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.263 -173.526 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 125' ' ' PRO . . . . . . . . . . . . . 83.0 Cg_exo -50.04 144.6 21.59 Favored 'Trans proline' 0 N--CA 1.458 -0.612 0 C-N-CA 121.62 1.546 . . . . 0.0 111.223 175.553 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 126' ' ' ALA . . . . . . . . . . . . . . . -64.39 -11.59 34.41 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.197 -179.51 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 127' ' ' ASP . . . . . . . . . . . . . 82.3 m-20 -99.37 11.13 39.98 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.234 -179.787 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 128' ' ' VAL . . . . . 0.417 HG22 ' HG2' ' B' ' 149' ' ' ARG . 74.9 t -125.33 136.39 60.99 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.38 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.267 -178.875 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 129' ' ' ASP . . . . . . . . . . . . . 60.2 t0 -87.1 117.38 68.54 Favored Pre-proline 0 C--N 1.328 -0.35 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.073 -174.285 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 130' ' ' PRO . . . . . . . . . . . . . 73.4 Cg_endo -76.75 -8.0 17.82 Favored 'Trans proline' 0 N--CA 1.458 -0.604 0 C-N-CA 121.649 1.566 . . . . 0.0 111.227 -173.561 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 131' ' ' LEU . . . . . . . . . . . . . 92.6 mt -99.2 6.0 46.52 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.171 -177.797 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 132' ' ' THR . . . . . . . . . . . . . 67.1 p -123.19 12.99 9.61 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.339 -0.392 . . . . 0.0 111.183 -178.883 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 133' ' ' ILE . . . . . . . . . . . . . 37.5 pt -97.16 146.14 8.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.151 -179.444 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 134' ' ' THR . . . . . . . . . . . . . 87.2 m -139.25 97.25 3.25 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.22 -176.729 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 135' ' ' SER . . . . . 0.463 ' HA ' ' HA ' ' B' ' 145' ' ' VAL . 67.6 p -66.58 156.08 36.02 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.232 173.478 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 136' ' ' SER . . . . . . . . . . . . . 97.6 p -164.2 157.86 18.42 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.124 -179.758 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 137' ' ' LEU . . . . . . . . . . . . . 94.1 mt -114.73 152.75 31.5 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.148 -177.486 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 138' ' ' SER . . . . . . . . . . . . . 28.9 p -108.01 -179.37 3.88 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.22 175.826 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 139' ' ' SER . . . . . . . . . . . . . 86.5 p -69.27 -17.42 63.75 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.14 176.017 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 140' ' ' ASP . . . . . . . . . . . . . 85.3 m-20 -97.51 -6.42 33.72 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.138 178.877 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 141' ' ' GLY . . . . . . . . . . . . . . . 88.89 25.4 29.64 Favored Glycine 0 CA--C 1.524 0.634 0 N-CA-C 111.264 -0.734 . . . . 0.0 111.264 -179.721 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 142' ' ' VAL . . . . . . . . . . . . . 98.4 t -80.94 103.99 8.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-O 120.886 0.374 . . . . 0.0 111.185 179.26 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 143' ' ' LEU . . . . . . . . . . . . . 59.7 tp -87.57 121.16 29.65 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.176 178.55 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 144' ' ' THR . . . . . . . . . . . . . 91.3 m -133.68 117.45 17.0 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.183 179.254 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 145' ' ' VAL . . . . . 0.463 ' HA ' ' HA ' ' B' ' 135' ' ' SER . 7.5 p -110.72 135.15 50.7 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.134 174.853 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 146' ' ' ASP . . . . . 0.515 ' OD1' ' O ' ' B' ' 146' ' ' ASP . 20.2 p30 -162.07 143.21 10.68 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.181 -164.897 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 147' ' ' GLY . . . . . 0.407 ' HA2' ' HD3' ' B' ' 148' ' ' PRO . . . -166.35 149.01 14.37 Favored Glycine 0 CA--C 1.525 0.661 0 N-CA-C 111.158 -0.777 . . . . 0.0 111.158 -175.57 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 148' ' ' PRO . . . . . 0.407 ' HD3' ' HA2' ' B' ' 147' ' ' GLY . 87.0 Cg_exo -56.57 147.22 71.2 Favored 'Trans proline' 0 N--CA 1.459 -0.519 0 C-N-CA 121.59 1.527 . . . . 0.0 111.291 -177.536 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 149' ' ' ARG . . . . . 0.417 ' HG2' HG22 ' B' ' 128' ' ' VAL . 67.6 mtp180 -59.47 171.61 0.79 Allowed 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.24 173.264 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 150' ' ' LYS . . . . . . . . . . . . . 97.7 mttt -76.6 -22.94 53.54 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.325 -0.398 . . . . 0.0 111.238 169.038 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 151' ' ' GLN . . . . . . . . . . . . . 99.9 mm-40 -95.98 -1.18 49.55 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.187 179.722 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 152' ' ' VAL . . . . . . . . . . . . . 14.0 p . . . . . 0 C--O 1.22 -0.47 0 CA-C-O 117.866 -1.064 . . . . 0.0 111.242 178.235 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.523 0.573 0 N-CA-C 111.196 -0.761 . . . . 0.0 111.196 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 95.0 mt -90.14 -15.01 32.45 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.866 0.365 . . . . 0.0 111.257 179.988 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 92.4 p -75.97 160.24 30.06 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.191 179.919 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 79.9 mm-40 -123.61 -8.44 7.96 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.106 -179.176 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 68' ' ' MET . . . . . . . . . . . . . 59.9 ttm -72.89 123.43 23.4 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.318 -0.401 . . . . 0.0 111.236 177.609 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 78.1 ttt180 -121.9 115.08 21.94 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.245 174.996 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 62.7 tp -78.13 105.68 9.51 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.178 178.829 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 71' ' ' GLU . . . . . 0.532 ' O ' ' C ' ' A' ' 72' ' ' LYS . 80.9 mm-40 -70.6 -177.55 1.55 Allowed 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.266 167.023 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 72' ' ' LYS . . . . . 0.532 ' C ' ' O ' ' A' ' 71' ' ' GLU . 88.0 tttt -27.26 -61.66 0.09 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.302 -0.408 . . . . 0.0 111.15 -176.456 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 58.1 p-10 -144.55 44.59 1.4 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.276 -177.595 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 74' ' ' ARG . . . . . 0.416 ' O ' ' N ' ' A' ' 71' ' ' GLU . 20.6 ptp180 -178.57 144.27 0.28 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.158 -178.09 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 75' ' ' PHE . . . . . 0.437 ' CD1' ' C ' ' A' ' 75' ' ' PHE . 7.4 p90 -108.36 155.47 20.5 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.292 -0.413 . . . . 0.0 111.191 -173.016 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 38.1 t -138.2 125.99 22.4 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.197 174.076 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 64.1 t -98.87 109.74 24.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.212 -174.377 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 62.2 t-20 -84.62 85.63 7.4 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.193 -178.809 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 79' ' ' LEU . . . . . 0.408 HD12 ' HG ' ' A' ' 143' ' ' LEU . 74.5 mt -77.83 135.71 37.98 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.257 -172.985 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 66.1 t0 -91.22 117.92 30.03 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.19 -177.938 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 85.5 t -107.33 114.57 46.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.061 -0.518 . . . . 0.0 111.233 176.026 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 88.1 tttt -106.58 93.77 4.77 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.218 -173.738 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 79.8 m-70 61.84 49.93 4.53 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.218 175.035 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 84' ' ' PHE . . . . . 0.434 ' HA ' ' HB2' ' A' ' 104' ' ' HIS . 91.5 m-85 -119.93 149.43 42.13 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.314 172.37 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 85' ' ' SER . . . . . 0.431 ' O ' ' HG ' ' A' ' 89' ' ' LEU . 67.8 m -91.86 137.53 25.32 Favored Pre-proline 0 C--N 1.328 -0.348 0 CA-C-N 116.33 -0.395 . . . . 0.0 111.144 -178.862 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 55.7 Cg_endo -67.9 -15.57 44.0 Favored 'Trans proline' 0 N--CA 1.457 -0.64 0 C-N-CA 121.641 1.561 . . . . 0.0 111.252 179.74 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 99.0 mt-10 -78.43 -15.25 58.86 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.234 172.338 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 73.0 mt-10 -120.58 -4.58 9.79 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.214 -179.119 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 89' ' ' LEU . . . . . 0.431 ' HG ' ' O ' ' A' ' 85' ' ' SER . 91.5 mt -82.36 140.22 33.64 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.14 170.283 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 97.8 mttt -134.62 64.88 1.58 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.125 -0.488 . . . . 0.0 111.125 -179.261 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 13.3 p -60.27 135.35 25.03 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.286 -0.415 . . . . 0.0 111.192 178.411 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 92' ' ' LYS . . . . . 0.412 ' O ' ' N ' ' A' ' 99' ' ' GLU . 86.8 tttt -153.68 156.73 38.4 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.235 -173.013 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 33.7 m -124.42 160.72 28.65 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.214 167.608 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 25.2 tp -144.93 70.67 1.28 Allowed 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.191 177.925 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 82.08 -103.14 2.34 Favored Glycine 0 CA--C 1.523 0.571 0 N-CA-C 111.216 -0.753 . . . . 0.0 111.216 179.714 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 51.2 p-10 -103.44 21.3 16.26 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.849 0.357 . . . . 0.0 111.236 -177.385 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 97' ' ' VAL . . . . . 0.467 ' HA ' ' HA ' ' A' ' 123' ' ' ARG . 33.9 m -131.22 162.32 39.48 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.215 171.748 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 98' ' ' ILE . . . . . . . . . . . . . 63.4 mt -118.08 94.5 3.11 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.38 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.236 172.842 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 99' ' ' GLU . . . . . 0.412 ' N ' ' O ' ' A' ' 92' ' ' LYS . 57.2 mt-10 -72.45 78.81 1.04 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.361 -0.381 . . . . 0.0 111.208 -176.052 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 100' ' ' VAL . . . . . 0.485 ' HB ' ' HB2' ' A' ' 120' ' ' ARG . 47.8 t -76.77 77.92 0.62 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.167 -178.22 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 101' ' ' HIS . . . . . . . . . . . . . 63.5 t-80 -81.59 151.11 27.83 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.058 176.085 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . -179.15 161.05 26.95 Favored Glycine 0 CA--C 1.521 0.461 0 N-CA-C 111.217 -0.753 . . . . 0.0 111.217 177.158 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 103' ' ' LYS . . . . . 0.456 ' HA ' ' O ' ' A' ' 116' ' ' ARG . 64.2 pttt -156.2 151.87 27.14 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-O 120.778 0.323 . . . . 0.0 111.172 176.451 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 104' ' ' HIS . . . . . 0.434 ' HB2' ' HA ' ' A' ' 84' ' ' PHE . 27.0 t-80 -129.59 115.25 17.12 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.284 -0.416 . . . . 0.0 111.19 161.837 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 105' ' ' GLU . . . . . 0.566 ' O ' ' C ' ' A' ' 106' ' ' GLU . 98.2 mt-10 -66.43 -175.52 0.37 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.254 -177.516 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 106' ' ' GLU . . . . . 0.566 ' C ' ' O ' ' A' ' 105' ' ' GLU . 99.3 mt-10 -25.64 116.44 0.06 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.266 -0.425 . . . . 0.0 111.152 -170.964 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 54.1 ttp180 -134.9 74.77 1.54 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.113 -161.574 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 108' ' ' GLN . . . . . . . . . . . . . 73.6 tp60 -45.48 109.44 0.17 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.154 178.28 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 14.3 t0 -164.15 -136.73 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.193 -172.722 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 99.7 mt-10 -46.22 -64.46 0.75 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.252 -178.306 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 111' ' ' HIS . . . . . . . . . . . . . 69.8 m80 -111.43 79.8 1.25 Allowed 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.103 -175.966 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 112' ' ' GLY . . . . . 0.409 ' HA3' ' HA ' ' B' ' 122' ' ' TYR . . . 55.34 -134.1 48.89 Favored Glycine 0 CA--C 1.522 0.529 0 N-CA-C 111.209 -0.757 . . . . 0.0 111.209 -178.483 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 113' ' ' PHE . . . . . 0.486 ' O ' ' N ' ' B' ' 121' ' ' LYS . 97.5 m-85 -89.17 130.07 35.66 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.78 0.324 . . . . 0.0 111.223 172.36 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 114' ' ' ILE . . . . . . . . . . . . . 5.1 mp -118.57 99.24 7.57 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 CA-C-N 116.294 -0.412 . . . . 0.0 111.105 -178.532 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 115' ' ' SER . . . . . 0.426 ' HB3' ' HB3' ' B' ' 119' ' ' HIS . 46.3 t -92.98 94.2 8.77 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.295 174.961 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 116' ' ' ARG . . . . . 0.49 ' HA ' ' HA ' ' B' ' 118' ' ' PHE . 42.4 ttm180 -121.48 104.58 9.77 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.154 -162.724 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 85.9 tt0 -101.74 121.17 41.55 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.166 175.378 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 118' ' ' PHE . . . . . 0.48 ' HA ' ' HA ' ' B' ' 116' ' ' ARG . 39.5 p90 -124.73 165.95 17.04 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.345 -171.821 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 119' ' ' HIS . . . . . 0.432 ' HB3' ' HB3' ' B' ' 115' ' ' SER . 19.1 t-160 -148.12 81.57 1.48 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.183 -179.904 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 120' ' ' ARG . . . . . 0.485 ' HB2' ' HB ' ' A' ' 100' ' ' VAL . 87.5 mtm180 -86.04 82.1 8.23 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.175 -173.82 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 121' ' ' LYS . . . . . 0.477 ' N ' ' O ' ' B' ' 113' ' ' PHE . 41.7 ttmt -68.59 78.93 0.28 Allowed 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.227 -179.038 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 122' ' ' TYR . . . . . 0.403 ' HA ' ' HA3' ' B' ' 112' ' ' GLY . 3.4 t80 -72.55 110.18 6.74 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.291 -176.381 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 123' ' ' ARG . . . . . 0.467 ' HA ' ' HA ' ' A' ' 97' ' ' VAL . 49.8 ttt180 -94.08 143.54 26.27 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.116 -159.341 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 124' ' ' ILE . . . . . 0.411 HG21 ' HB ' ' A' ' 128' ' ' VAL . 13.2 mt -109.95 136.56 20.4 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.194 -176.493 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 125' ' ' PRO . . . . . . . . . . . . . 72.1 Cg_exo -46.24 153.32 1.09 Allowed 'Trans proline' 0 N--CA 1.458 -0.574 0 C-N-CA 121.665 1.577 . . . . 0.0 111.199 165.704 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . -77.41 7.64 5.14 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.106 -167.22 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 127' ' ' ASP . . . . . . . . . . . . . 95.2 m-20 -84.02 -8.23 59.19 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.21 -179.374 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 128' ' ' VAL . . . . . 0.411 ' HB ' HG21 ' A' ' 124' ' ' ILE . 10.6 p -78.71 150.2 5.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.207 -171.462 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 64.7 t0 -101.56 109.84 60.23 Favored Pre-proline 0 C--N 1.327 -0.396 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.194 167.464 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 130' ' ' PRO . . . . . . . . . . . . . 94.2 Cg_exo -55.3 -31.52 77.18 Favored 'Trans proline' 0 N--CA 1.458 -0.608 0 C-N-CA 121.708 1.605 . . . . 0.0 111.242 -173.351 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 131' ' ' LEU . . . . . . . . . . . . . 96.7 mt -82.78 -2.84 55.61 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.169 -169.38 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 132' ' ' THR . . . . . . . . . . . . . 70.9 p -112.85 10.83 19.13 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.269 -179.079 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 133' ' ' ILE . . . . . . . . . . . . . 94.2 mt -90.51 125.27 43.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.224 179.152 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 134' ' ' THR . . . . . . . . . . . . . 92.7 m -125.19 124.85 42.63 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.264 -0.425 . . . . 0.0 111.312 178.538 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 135' ' ' SER . . . . . . . . . . . . . 85.0 p -95.11 163.04 13.46 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.31 -0.404 . . . . 0.0 111.166 178.512 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 136' ' ' SER . . . . . . . . . . . . . 44.5 t -153.61 114.61 4.1 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.152 -0.477 . . . . 0.0 111.202 175.664 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 137' ' ' LEU . . . . . . . . . . . . . 50.1 tp -101.69 110.75 22.8 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.249 -175.671 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 138' ' ' SER . . . . . . . . . . . . . 33.3 t -82.74 143.05 31.15 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.267 171.136 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 139' ' ' SER . . . . . . . . . . . . . 88.5 p -72.46 -10.92 60.39 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.212 179.007 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 140' ' ' ASP . . . . . . . . . . . . . 94.0 m-20 -81.62 -18.23 45.42 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.192 177.971 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 141' ' ' GLY . . . . . . . . . . . . . . . 112.77 11.63 14.14 Favored Glycine 0 CA--C 1.524 0.602 0 N-CA-C 111.326 -0.71 . . . . 0.0 111.326 179.338 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 142' ' ' VAL . . . . . . . . . . . . . 48.9 t -94.76 79.56 1.2 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.241 0 CA-C-O 120.767 0.318 . . . . 0.0 111.259 176.844 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 143' ' ' LEU . . . . . 0.408 ' HG ' HD12 ' A' ' 79' ' ' LEU . 60.0 tp -88.63 124.77 34.39 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.147 176.313 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 144' ' ' THR . . . . . . . . . . . . . 91.5 m -127.37 124.09 37.78 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.176 -177.788 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 145' ' ' VAL . . . . . . . . . . . . . 60.2 t -118.6 118.82 59.2 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.229 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.104 174.728 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 146' ' ' ASP . . . . . 0.434 ' C ' ' OD1' ' A' ' 146' ' ' ASP . 20.7 p30 -134.86 160.89 36.8 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.235 -170.259 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 147' ' ' GLY . . . . . 0.437 ' HA2' ' HD3' ' A' ' 148' ' ' PRO . . . 176.8 133.8 1.87 Allowed Glycine 0 CA--C 1.524 0.647 0 N-CA-C 111.303 -0.719 . . . . 0.0 111.303 -177.983 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 148' ' ' PRO . . . . . 0.437 ' HD3' ' HA2' ' A' ' 147' ' ' GLY . 51.9 Cg_exo -58.83 148.33 84.26 Favored 'Trans proline' 0 N--CA 1.457 -0.665 0 C-N-CA 121.782 1.655 . . . . 0.0 111.161 177.639 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 149' ' ' ARG . . . . . . . . . . . . . 34.9 ptt180 -141.48 174.16 10.82 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.233 173.448 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 150' ' ' LYS . . . . . . . . . . . . . 93.2 mttt -89.06 -0.94 57.85 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.282 -171.218 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 151' ' ' GLN . . . . . . . . . . . . . 73.6 tp60 -57.06 -36.75 70.9 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.16 -176.431 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 152' ' ' VAL . . . . . . . . . . . . . 14.9 p . . . . . 0 C--O 1.221 -0.407 0 CA-C-O 117.79 -1.1 . . . . 0.0 111.03 175.696 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' B' B ' 64' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.522 0.508 0 N-CA-C 111.181 -0.768 . . . . 0.0 111.181 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' B' B ' 65' ' ' LEU . . . . . . . . . . . . . 95.2 mt -90.15 -14.98 32.46 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-O 120.823 0.344 . . . . 0.0 111.237 179.997 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 66' ' ' SER . . . . . . . . . . . . . 92.8 p -75.85 160.44 29.94 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.206 179.916 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 67' ' ' GLU . . . . . . . . . . . . . 79.8 mm-40 -123.79 -8.45 7.86 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.095 -179.184 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 68' ' ' MET . . . . . . . . . . . . . 59.9 ttm -73.04 123.48 23.62 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.222 177.672 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 69' ' ' ARG . . . . . . . . . . . . . 78.2 ttt180 -121.92 115.04 21.86 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.239 175.056 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 70' ' ' LEU . . . . . . . . . . . . . 62.4 tp -78.04 105.84 9.52 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.255 178.761 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 71' ' ' GLU . . . . . 0.533 ' O ' ' C ' ' B' ' 72' ' ' LYS . 80.9 mm-40 -70.79 -177.63 1.64 Allowed 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.244 167.018 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 72' ' ' LYS . . . . . 0.533 ' C ' ' O ' ' B' ' 71' ' ' GLU . 88.0 tttt -27.25 -61.6 0.09 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.192 -176.352 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 73' ' ' ASP . . . . . . . . . . . . . 58.0 p-10 -144.56 44.55 1.39 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.27 -177.555 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 74' ' ' ARG . . . . . . . . . . . . . 20.6 ptp180 -178.58 144.25 0.28 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.195 -178.04 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 75' ' ' PHE . . . . . 0.425 ' CD1' ' C ' ' B' ' 75' ' ' PHE . 7.6 p90 -108.48 155.5 20.54 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.109 -172.985 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 76' ' ' SER . . . . . . . . . . . . . 38.2 t -138.18 126.08 22.55 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.091 -0.504 . . . . 0.0 111.174 174.084 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 77' ' ' VAL . . . . . . . . . . . . . 64.2 t -98.82 109.81 24.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.172 -174.361 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 78' ' ' ASN . . . . . . . . . . . . . 62.2 t-20 -84.74 85.54 7.43 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.254 -178.841 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 79' ' ' LEU . . . . . 0.407 HD12 ' HG ' ' B' ' 143' ' ' LEU . 75.0 mt -77.84 135.65 37.96 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.166 -172.86 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 80' ' ' ASP . . . . . . . . . . . . . 66.0 t0 -91.1 117.66 29.78 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.112 -0.494 . . . . 0.0 111.215 -177.896 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 81' ' ' VAL . . . . . . . . . . . . . 87.3 t -107.11 114.62 46.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.25 175.966 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 82' ' ' LYS . . . . . . . . . . . . . 88.1 tttt -106.54 93.65 4.71 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.244 -173.81 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 83' ' ' HIS . . . . . . . . . . . . . 79.5 m-70 62.01 49.93 4.35 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.149 174.953 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 84' ' ' PHE . . . . . 0.444 ' HA ' ' HB2' ' B' ' 104' ' ' HIS . 91.7 m-85 -120.1 149.41 42.25 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.203 172.344 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 85' ' ' SER . . . . . 0.43 ' O ' ' HG ' ' B' ' 89' ' ' LEU . 67.5 m -91.8 137.47 25.44 Favored Pre-proline 0 C--N 1.33 -0.24 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.129 -178.811 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 86' ' ' PRO . . . . . . . . . . . . . 55.7 Cg_endo -67.82 -15.69 44.5 Favored 'Trans proline' 0 N--CA 1.459 -0.556 0 C-N-CA 121.721 1.614 . . . . 0.0 111.179 179.763 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 87' ' ' GLU . . . . . . . . . . . . . 99.1 mt-10 -78.6 -14.96 59.06 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.278 172.397 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 88' ' ' GLU . . . . . . . . . . . . . 73.4 mt-10 -120.68 -4.56 9.75 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.205 -179.235 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 89' ' ' LEU . . . . . 0.43 ' HG ' ' O ' ' B' ' 85' ' ' SER . 92.0 mt -82.3 140.14 33.76 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.191 170.224 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 90' ' ' LYS . . . . . . . . . . . . . 97.9 mttt -134.68 64.9 1.58 Allowed 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.147 -179.319 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 91' ' ' VAL . . . . . . . . . . . . . 13.1 p -60.05 135.25 24.89 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.242 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.32 178.236 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 92' ' ' LYS . . . . . 0.421 ' O ' ' N ' ' B' ' 99' ' ' GLU . 86.9 tttt -153.64 156.61 38.24 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.223 -172.972 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 93' ' ' VAL . . . . . . . . . . . . . 33.6 m -124.3 160.68 28.41 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.279 -0.419 . . . . 0.0 111.268 167.546 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 94' ' ' LEU . . . . . . . . . . . . . 25.2 tp -144.91 70.68 1.28 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.206 177.824 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 95' ' ' GLY . . . . . . . . . . . . . . . 82.28 -103.23 2.37 Favored Glycine 0 CA--C 1.523 0.571 0 N-CA-C 111.161 -0.775 . . . . 0.0 111.161 179.618 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 96' ' ' ASP . . . . . . . . . . . . . 51.2 p-10 -103.48 21.37 16.16 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.769 0.318 . . . . 0.0 111.174 -177.399 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 97' ' ' VAL . . . . . 0.457 ' HA ' ' HA ' ' B' ' 123' ' ' ARG . 33.9 m -131.23 162.32 39.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.142 171.701 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 98' ' ' ILE . . . . . . . . . . . . . 63.3 mt -118.1 94.5 3.11 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.234 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.276 172.823 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 99' ' ' GLU . . . . . 0.421 ' N ' ' O ' ' B' ' 92' ' ' LYS . 57.1 mt-10 -72.39 78.91 1.02 Allowed 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.18 -176.005 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 100' ' ' VAL . . . . . 0.498 ' HB ' ' HB2' ' B' ' 120' ' ' ARG . 47.9 t -76.84 77.83 0.63 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.368 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.208 -178.223 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 101' ' ' HIS . . . . . . . . . . . . . 63.7 t-80 -81.4 151.15 28.05 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.158 176.064 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 102' ' ' GLY . . . . . 0.402 ' HA2' ' HA ' ' B' ' 89' ' ' LEU . . . -179.24 160.96 26.76 Favored Glycine 0 CA--C 1.524 0.611 0 N-CA-C 111.216 -0.754 . . . . 0.0 111.216 177.244 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 103' ' ' LYS . . . . . 0.448 ' HA ' ' O ' ' B' ' 116' ' ' ARG . 64.2 pttt -156.15 151.89 27.24 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.658 0.266 . . . . 0.0 111.267 176.482 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 104' ' ' HIS . . . . . 0.444 ' HB2' ' HA ' ' B' ' 84' ' ' PHE . 26.7 t-80 -129.72 115.31 17.14 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.211 161.866 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 105' ' ' GLU . . . . . 0.561 ' O ' ' C ' ' B' ' 106' ' ' GLU . 98.2 mt-10 -66.59 -175.57 0.39 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.141 -177.339 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 106' ' ' GLU . . . . . 0.561 ' C ' ' O ' ' B' ' 105' ' ' GLU . 99.2 mt-10 -25.56 116.42 0.06 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.21 -170.988 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 107' ' ' ARG . . . . . . . . . . . . . 54.0 ttp180 -134.83 74.64 1.53 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.272 -161.648 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 108' ' ' GLN . . . . . . . . . . . . . 73.6 tp60 -45.3 109.42 0.17 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.208 178.284 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 109' ' ' ASP . . . . . . . . . . . . . 14.4 t0 -164.15 -136.77 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.116 -172.553 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 110' ' ' GLU . . . . . . . . . . . . . 99.8 mt-10 -46.34 -64.49 0.74 Allowed 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.172 -178.282 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 111' ' ' HIS . . . . . . . . . . . . . 69.6 m80 -111.26 79.74 1.24 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.163 -0.472 . . . . 0.0 111.189 -176.005 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 112' ' ' GLY . . . . . 0.403 ' HA3' ' HA ' ' A' ' 122' ' ' TYR . . . 55.37 -134.02 49.01 Favored Glycine 0 CA--C 1.522 0.512 0 N-CA-C 111.266 -0.734 . . . . 0.0 111.266 -178.477 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 113' ' ' PHE . . . . . 0.477 ' O ' ' N ' ' A' ' 121' ' ' LYS . 97.3 m-85 -89.37 130.13 35.79 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.824 0.345 . . . . 0.0 111.049 172.469 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 114' ' ' ILE . . . . . . . . . . . . . 5.0 mp -118.65 99.27 7.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.19 -178.59 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 115' ' ' SER . . . . . 0.432 ' HB3' ' HB3' ' A' ' 119' ' ' HIS . 46.1 t -93.04 94.17 8.73 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.228 175.145 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 116' ' ' ARG . . . . . 0.48 ' HA ' ' HA ' ' A' ' 118' ' ' PHE . 42.4 ttm180 -121.44 104.44 9.68 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.166 -162.661 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 117' ' ' GLU . . . . . . . . . . . . . 86.1 tt0 -101.63 121.06 41.31 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.203 175.389 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 118' ' ' PHE . . . . . 0.49 ' HA ' ' HA ' ' A' ' 116' ' ' ARG . 39.6 p90 -124.79 165.98 17.02 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.233 -171.784 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 119' ' ' HIS . . . . . 0.426 ' HB3' ' HB3' ' A' ' 115' ' ' SER . 19.2 t-160 -148.03 81.55 1.49 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.287 -0.415 . . . . 0.0 111.212 -179.886 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 120' ' ' ARG . . . . . 0.498 ' HB2' ' HB ' ' B' ' 100' ' ' VAL . 87.6 mtm180 -86.01 81.98 8.28 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.161 -173.808 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 121' ' ' LYS . . . . . 0.486 ' N ' ' O ' ' A' ' 113' ' ' PHE . 41.8 ttmt -68.59 78.95 0.28 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.257 -179.05 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 122' ' ' TYR . . . . . 0.409 ' HA ' ' HA3' ' A' ' 112' ' ' GLY . 3.3 t80 -72.48 110.11 6.64 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.321 -176.421 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 123' ' ' ARG . . . . . 0.457 ' HA ' ' HA ' ' B' ' 97' ' ' VAL . 50.4 ttt180 -94.0 143.61 26.2 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.274 -159.485 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 124' ' ' ILE . . . . . . . . . . . . . 13.3 mt -109.95 136.54 20.4 Favored Pre-proline 0 C--N 1.33 -0.267 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.147 -176.41 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 125' ' ' PRO . . . . . . . . . . . . . 71.6 Cg_exo -46.37 153.35 1.15 Allowed 'Trans proline' 0 N--CA 1.458 -0.582 0 C-N-CA 121.63 1.553 . . . . 0.0 111.201 165.706 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 126' ' ' ALA . . . . . . . . . . . . . . . -77.41 7.57 5.22 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.049 -167.069 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 127' ' ' ASP . . . . . . . . . . . . . 95.0 m-20 -84.0 -8.17 59.21 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.333 -0.394 . . . . 0.0 111.226 -179.397 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 128' ' ' VAL . . . . . . . . . . . . . 10.6 p -78.83 150.18 5.36 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.234 -171.504 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 129' ' ' ASP . . . . . . . . . . . . . 64.8 t0 -101.39 109.81 59.89 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.21 167.511 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 130' ' ' PRO . . . . . . . . . . . . . 93.3 Cg_exo -55.43 -31.47 77.93 Favored 'Trans proline' 0 N--CA 1.458 -0.604 0 C-N-CA 121.667 1.578 . . . . 0.0 111.129 -173.315 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 131' ' ' LEU . . . . . . . . . . . . . 96.8 mt -82.68 -2.9 55.43 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.178 -169.444 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 132' ' ' THR . . . . . . . . . . . . . 69.7 p -112.92 10.78 19.01 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.196 -178.931 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 133' ' ' ILE . . . . . . . . . . . . . 94.4 mt -90.51 125.34 43.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.193 179.188 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 134' ' ' THR . . . . . . . . . . . . . 92.9 m -125.34 124.9 42.56 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.219 178.576 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 135' ' ' SER . . . . . . . . . . . . . 85.3 p -95.15 163.15 13.41 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.183 178.505 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 136' ' ' SER . . . . . . . . . . . . . 44.5 t -153.55 114.54 4.1 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.204 175.71 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 137' ' ' LEU . . . . . . . . . . . . . 49.9 tp -101.64 110.75 22.81 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.207 -175.697 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 138' ' ' SER . . . . . . . . . . . . . 32.9 t -82.76 143.15 31.06 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.208 171.156 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 139' ' ' SER . . . . . . . . . . . . . 88.9 p -72.51 -10.83 60.27 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.218 179.017 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 140' ' ' ASP . . . . . . . . . . . . . 93.7 m-20 -81.68 -18.26 45.12 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.134 -0.484 . . . . 0.0 111.215 177.899 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 141' ' ' GLY . . . . . . . . . . . . . . . 112.85 11.61 13.99 Favored Glycine 0 CA--C 1.523 0.539 0 N-CA-C 111.268 -0.733 . . . . 0.0 111.268 179.309 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 142' ' ' VAL . . . . . . . . . . . . . 48.9 t -94.74 79.5 1.2 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-O 120.789 0.328 . . . . 0.0 111.208 176.889 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 143' ' ' LEU . . . . . 0.407 ' HG ' HD12 ' B' ' 79' ' ' LEU . 59.7 tp -88.61 124.63 34.25 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.129 176.295 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 144' ' ' THR . . . . . . . . . . . . . 92.0 m -127.24 124.16 38.21 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.144 -177.82 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 145' ' ' VAL . . . . . . . . . . . . . 60.8 t -118.67 118.82 59.15 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.208 174.617 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 146' ' ' ASP . . . . . 0.431 ' OD1' ' C ' ' B' ' 146' ' ' ASP . 20.8 p30 -134.87 160.75 37.25 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.23 -170.045 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 147' ' ' GLY . . . . . 0.435 ' HA2' ' HD3' ' B' ' 148' ' ' PRO . . . 176.87 133.95 1.9 Allowed Glycine 0 CA--C 1.523 0.567 0 N-CA-C 111.212 -0.755 . . . . 0.0 111.212 -178.031 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 148' ' ' PRO . . . . . 0.435 ' HD3' ' HA2' ' B' ' 147' ' ' GLY . 52.1 Cg_exo -58.92 148.38 84.77 Favored 'Trans proline' 0 N--CA 1.458 -0.604 0 C-N-CA 121.772 1.648 . . . . 0.0 111.147 177.515 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 149' ' ' ARG . . . . . . . . . . . . . 34.8 ptt180 -141.49 174.05 10.92 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.185 173.534 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 150' ' ' LYS . . . . . . . . . . . . . 93.2 mttt -89.1 -0.83 57.76 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.338 -171.278 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 151' ' ' GLN . . . . . . . . . . . . . 73.6 tp60 -57.14 -36.68 71.01 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.076 -0.511 . . . . 0.0 111.188 -176.468 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 152' ' ' VAL . . . . . . . . . . . . . 14.9 p . . . . . 0 C--O 1.219 -0.502 0 CA-C-O 117.838 -1.077 . . . . 0.0 111.2 175.575 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.523 0.554 0 N-CA-C 111.181 -0.768 . . . . 0.0 111.181 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 90.5 mt -93.26 153.0 18.84 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.786 0.327 . . . . 0.0 111.207 -179.482 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 74.6 m -75.43 153.85 37.42 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.285 179.372 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 63.4 mt-10 -127.61 57.66 1.51 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.253 179.353 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 68' ' ' MET . . . . . . . . . . . . . 55.2 ttp -73.01 119.87 17.85 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.163 172.226 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 37.7 ptt180 -163.71 153.49 14.89 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.243 178.118 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 49.2 tp -100.11 115.95 30.99 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.234 166.005 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 71' ' ' GLU . . . . . 0.472 ' O ' ' C ' ' A' ' 72' ' ' LYS . 98.5 mt-10 -71.41 -175.93 1.39 Allowed 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.087 -0.506 . . . . 0.0 111.325 173.88 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 72' ' ' LYS . . . . . 0.472 ' C ' ' O ' ' A' ' 71' ' ' GLU . 88.0 tttt -27.54 -58.99 0.1 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.136 174.041 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 56.5 p-10 -152.82 56.68 0.79 Allowed 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.3 170.225 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 35.0 tpt85 -160.22 106.81 1.57 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.169 -173.034 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 75' ' ' PHE . . . . . . . . . . . . . 77.1 t80 -97.28 130.06 44.51 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.186 -174.781 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 95.3 p -139.79 154.04 47.27 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.282 -0.417 . . . . 0.0 111.184 -178.213 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 95.2 t -133.12 98.21 2.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.245 175.606 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 48.3 t30 -91.58 112.64 24.65 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.26 174.331 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -130.37 159.0 38.32 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.135 -172.555 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 63.6 t0 -90.16 121.48 32.24 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.213 -172.611 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 29.5 m -144.02 31.35 0.25 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.312 173.765 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 98.8 mttt -89.37 45.28 1.27 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.051 -0.522 . . . . 0.0 111.208 -166.863 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 95.5 m-70 -141.32 -5.2 1.1 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.288 179.88 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 84' ' ' PHE . . . . . 0.505 ' CD1' ' HB2' ' A' ' 104' ' ' HIS . 14.0 p90 -155.88 179.18 9.45 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.241 -172.429 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 65.1 m -98.73 158.96 31.53 Favored Pre-proline 0 C--N 1.328 -0.332 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.181 -160.64 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 59.2 Cg_endo -65.29 -15.78 51.59 Favored 'Trans proline' 0 N--CA 1.458 -0.569 0 C-N-CA 121.664 1.576 . . . . 0.0 111.148 173.472 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 98.6 mt-10 -91.03 -22.6 20.69 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.105 174.813 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 45.1 tp10 -75.05 -35.7 61.87 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.183 173.934 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 3.9 pp -99.47 149.25 23.4 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.285 -177.1 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 98.4 mttt -125.49 88.45 2.87 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.268 -179.923 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 96.7 t -69.76 116.96 11.81 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.398 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.237 175.409 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 98.3 mttt -130.63 169.79 15.16 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.304 -0.407 . . . . 0.0 111.271 177.578 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 93' ' ' VAL . . . . . 0.474 ' HA ' ' HA ' ' A' ' 98' ' ' ILE . 34.9 m -113.77 159.15 13.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.282 -0.417 . . . . 0.0 111.23 166.789 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 26.7 tp -142.17 66.45 1.34 Allowed 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.147 176.989 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 74.03 -103.34 1.46 Allowed Glycine 0 CA--C 1.522 0.484 0 N-CA-C 111.23 -0.748 . . . . 0.0 111.23 174.283 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 92.8 m-20 -79.51 -14.43 58.88 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.77 0.319 . . . . 0.0 111.144 -176.369 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 97' ' ' VAL . . . . . 0.555 ' HA ' ' HA ' ' A' ' 123' ' ' ARG . 34.7 m -123.77 175.92 5.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.237 -177.565 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 98' ' ' ILE . . . . . 0.474 ' HA ' ' HA ' ' A' ' 93' ' ' VAL . 83.7 mt -121.49 94.15 2.83 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.4 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.215 178.554 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 88.5 tt0 -73.16 78.29 1.27 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.275 -171.773 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 100' ' ' VAL . . . . . . . . . . . . . 94.8 t -68.54 87.53 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.245 173.723 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 101' ' ' HIS . . . . . 0.406 ' HA ' ' HA ' ' A' ' 119' ' ' HIS . 13.5 t-160 -87.39 64.59 8.29 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.209 -175.36 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . -86.05 168.3 40.81 Favored Glycine 0 CA--C 1.524 0.6 0 N-CA-C 111.28 -0.728 . . . . 0.0 111.28 177.49 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 103' ' ' LYS . . . . . 0.414 ' HA ' ' O ' ' A' ' 116' ' ' ARG . 64.6 pttt -164.21 161.57 22.16 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 120.856 0.36 . . . . 0.0 111.22 176.731 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 104' ' ' HIS . . . . . 0.505 ' HB2' ' CD1' ' A' ' 84' ' ' PHE . 1.5 t-80 -134.02 102.15 5.31 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.14 164.206 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 96.4 mt-10 -88.13 157.08 18.94 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.204 -179.472 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 94.5 mt-10 48.23 49.85 17.12 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.212 -174.755 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 107' ' ' ARG . . . . . 0.442 ' HB3' HG13 ' A' ' 114' ' ' ILE . 74.7 ttt-85 -86.4 82.63 7.9 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.198 -171.329 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 108' ' ' GLN . . . . . . . . . . . . . 73.1 tp60 -56.51 124.15 17.23 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.13 -0.487 . . . . 0.0 111.137 177.084 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 14.4 t0 -150.13 175.94 11.28 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.238 -179.546 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 51.2 tp10 -52.03 -33.73 40.0 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.246 179.686 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 111' ' ' HIS . . . . . . . . . . . . . 85.3 m-70 -131.33 67.77 1.51 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.29 -175.649 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 112' ' ' GLY . . . . . 0.41 ' HA3' ' HA ' ' A' ' 113' ' ' PHE . . . -160.34 -137.84 2.31 Favored Glycine 0 CA--C 1.524 0.634 0 N-CA-C 111.135 -0.786 . . . . 0.0 111.135 179.657 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 113' ' ' PHE . . . . . 0.41 ' HA ' ' HA3' ' A' ' 112' ' ' GLY . 46.9 p90 -76.84 167.38 21.92 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.783 0.325 . . . . 0.0 111.257 9.519 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 114' ' ' ILE . . . . . 0.442 HG13 ' HB3' ' A' ' 107' ' ' ARG . 38.1 pt -128.89 177.29 6.51 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.172 -176.639 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 115' ' ' SER . . . . . 0.443 ' O ' ' HA ' ' B' ' 118' ' ' PHE . 48.0 t -138.44 110.05 7.07 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.219 171.95 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 116' ' ' ARG . . . . . 0.414 ' O ' ' HA ' ' A' ' 103' ' ' LYS . 59.5 ttp180 -105.97 88.4 2.8 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.208 -170.23 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 81.8 tt0 -105.73 114.81 29.19 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.192 -176.983 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 118' ' ' PHE . . . . . 0.439 ' HA ' ' O ' ' B' ' 115' ' ' SER . 27.8 p90 -121.57 161.36 22.52 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.305 -0.407 . . . . 0.0 111.224 -172.202 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 119' ' ' HIS . . . . . 0.418 ' HB2' ' HB3' ' B' ' 115' ' ' SER . 13.4 m80 -131.36 65.99 1.55 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.194 178.362 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 98.9 mtt180 -75.86 96.27 3.67 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.206 -161.908 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 121' ' ' LYS . . . . . . . . . . . . . 98.3 mttt -86.37 76.7 9.62 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.134 -171.595 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 122' ' ' TYR . . . . . . . . . . . . . 97.8 m-85 -64.38 109.98 2.11 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.244 -178.346 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 123' ' ' ARG . . . . . 0.555 ' HA ' ' HA ' ' A' ' 97' ' ' VAL . 56.1 ttt180 -76.81 129.73 36.66 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.092 -166.662 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 124' ' ' ILE . . . . . . . . . . . . . 76.0 mt -82.08 122.77 79.9 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.189 -173.068 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 125' ' ' PRO . . . . . . . . . . . . . 86.4 Cg_exo -49.7 140.48 29.42 Favored 'Trans proline' 0 N--CA 1.458 -0.568 0 C-N-CA 121.773 1.649 . . . . 0.0 111.139 172.917 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . -59.49 -15.78 20.01 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.065 -0.516 . . . . 0.0 111.277 -176.906 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 127' ' ' ASP . . . . . . . . . . . . . 85.1 m-20 -95.12 9.19 40.51 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.19 -177.419 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 128' ' ' VAL . . . . . . . . . . . . . 97.8 t -123.35 133.29 69.56 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 CA-C-N 116.235 -0.438 . . . . 0.0 111.198 -175.962 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 65.5 t0 -87.5 118.79 70.3 Favored Pre-proline 0 C--N 1.328 -0.344 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.205 -179.27 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 130' ' ' PRO . . . . . . . . . . . . . 88.6 Cg_exo -52.71 -32.32 54.7 Favored 'Trans proline' 0 N--CA 1.456 -0.714 0 C-N-CA 121.664 1.576 . . . . 0.0 111.205 -179.271 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 131' ' ' LEU . . . . . . . . . . . . . 95.7 mt -72.16 -21.03 61.51 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.229 -171.949 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 132' ' ' THR . . . . . . . . . . . . . 59.6 p -88.68 -2.2 58.47 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.227 -177.817 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 133' ' ' ILE . . . . . . . . . . . . . 89.2 mt -95.81 120.07 44.71 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.147 -173.931 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 134' ' ' THR . . . . . . . . . . . . . 89.0 m -132.91 136.53 46.21 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.161 179.907 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 135' ' ' SER . . . . . 0.43 ' HA ' ' HA ' ' A' ' 145' ' ' VAL . 83.8 p -81.74 157.45 24.54 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.131 -177.35 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 136' ' ' SER . . . . . . . . . . . . . 44.4 t -150.68 139.5 20.83 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.176 172.181 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 137' ' ' LEU . . . . . . . . . . . . . 7.7 tt -135.47 139.91 44.42 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.204 -171.497 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 138' ' ' SER . . . . . . . . . . . . . 27.4 p -107.08 174.19 6.0 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.171 -176.264 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 139' ' ' SER . . . . . . . . . . . . . 86.4 p -67.63 -19.3 65.2 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.215 178.439 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 140' ' ' ASP . . . . . . . . . . . . . 88.1 m-20 -87.01 -13.08 45.49 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.211 178.298 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 141' ' ' GLY . . . . . . . . . . . . . . . 97.38 20.52 22.45 Favored Glycine 0 CA--C 1.524 0.607 0 N-CA-C 111.128 -0.789 . . . . 0.0 111.128 -179.723 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 142' ' ' VAL . . . . . . . . . . . . . 64.2 t -77.61 88.85 1.01 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-O 120.723 0.296 . . . . 0.0 111.252 179.181 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 143' ' ' LEU . . . . . . . . . . . . . 62.6 tp -96.34 122.98 39.8 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.219 -176.11 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 144' ' ' THR . . . . . . . . . . . . . 90.4 m -130.16 119.48 23.06 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.124 179.342 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 145' ' ' VAL . . . . . 0.43 ' HA ' ' HA ' ' A' ' 135' ' ' SER . 43.7 t -107.97 102.94 14.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.233 179.25 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 146' ' ' ASP . . . . . . . . . . . . . 4.0 p30 -142.86 138.48 30.31 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.156 -158.393 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 147' ' ' GLY . . . . . . . . . . . . . . . -147.01 137.83 6.92 Favored Glycine 0 CA--C 1.522 0.49 0 N-CA-C 111.265 -0.734 . . . . 0.0 111.265 174.44 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 148' ' ' PRO . . . . . . . . . . . . . 75.3 Cg_exo -57.48 151.72 51.88 Favored 'Trans proline' 0 N--CA 1.457 -0.649 0 C-N-CA 121.73 1.62 . . . . 0.0 111.225 -179.754 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 149' ' ' ARG . . . . . . . . . . . . . 74.7 ttt180 -48.95 151.73 1.19 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.189 175.378 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 150' ' ' LYS . . . . . . . . . . . . . 59.4 pttt -64.98 -15.56 62.4 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.251 -176.109 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 151' ' ' GLN . . . . . . . . . . . . . 99.3 mm-40 -87.75 -1.52 58.02 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.154 -179.674 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 152' ' ' VAL . . . . . . . . . . . . . 87.0 t . . . . . 0 C--O 1.221 -0.436 0 CA-C-O 118.191 -0.909 . . . . 0.0 111.214 179.159 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' B' B ' 64' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.522 0.49 0 N-CA-C 111.178 -0.769 . . . . 0.0 111.178 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' B' B ' 65' ' ' LEU . . . . . . . . . . . . . 90.3 mt -93.25 153.12 18.77 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.763 0.316 . . . . 0.0 111.191 -179.439 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 66' ' ' SER . . . . . . . . . . . . . 75.0 m -75.67 153.96 36.83 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.223 179.426 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 67' ' ' GLU . . . . . . . . . . . . . 63.5 mt-10 -127.72 57.6 1.52 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.185 179.514 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 68' ' ' MET . . . . . . . . . . . . . 55.2 ttp -72.94 119.73 17.58 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.163 172.228 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 69' ' ' ARG . . . . . . . . . . . . . 37.8 ptt180 -163.72 153.55 14.94 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.191 178.072 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 70' ' ' LEU . . . . . . . . . . . . . 48.9 tp -100.02 115.99 31.02 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.212 166.151 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 71' ' ' GLU . . . . . 0.486 ' O ' ' C ' ' B' ' 72' ' ' LYS . 98.6 mt-10 -71.55 -175.98 1.45 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.266 174.011 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 72' ' ' LYS . . . . . 0.486 ' C ' ' O ' ' B' ' 71' ' ' GLU . 88.1 tttt -27.54 -58.89 0.1 Allowed 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.205 173.971 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 73' ' ' ASP . . . . . . . . . . . . . 56.4 p-10 -152.87 56.73 0.79 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.172 170.275 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 74' ' ' ARG . . . . . . . . . . . . . 34.8 tpt85 -160.3 106.8 1.55 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.315 -0.402 . . . . 0.0 111.126 -173.019 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 75' ' ' PHE . . . . . . . . . . . . . 77.9 t80 -97.26 129.9 44.52 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.307 -174.839 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 76' ' ' SER . . . . . . . . . . . . . 97.3 p -139.8 154.08 47.27 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.313 -0.403 . . . . 0.0 111.158 -178.212 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 77' ' ' VAL . . . . . . . . . . . . . 96.2 t -133.1 98.19 2.74 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-N 116.112 -0.494 . . . . 0.0 111.249 175.681 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 78' ' ' ASN . . . . . . . . . . . . . 48.2 t30 -91.56 112.76 24.81 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.25 174.273 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 79' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -130.47 158.87 38.74 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.258 -172.577 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 80' ' ' ASP . . . . . . . . . . . . . 63.6 t0 -90.06 121.52 32.21 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.214 -172.49 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 81' ' ' VAL . . . . . . . . . . . . . 30.6 m -144.09 31.4 0.25 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.182 173.77 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 82' ' ' LYS . . . . . . . . . . . . . 98.8 mttt -89.23 45.02 1.25 Allowed 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.209 -166.866 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 83' ' ' HIS . . . . . . . . . . . . . 95.6 m-70 -141.2 -5.15 1.12 Allowed 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.297 179.9 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 84' ' ' PHE . . . . . 0.508 ' CD1' ' HB2' ' B' ' 104' ' ' HIS . 13.7 p90 -155.92 179.22 9.42 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.252 -172.441 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 85' ' ' SER . . . . . . . . . . . . . 65.4 m -98.7 159.05 31.37 Favored Pre-proline 0 C--N 1.327 -0.401 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.23 -160.65 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 86' ' ' PRO . . . . . . . . . . . . . 59.2 Cg_endo -65.35 -15.84 51.71 Favored 'Trans proline' 0 C--N 1.328 -0.521 0 C-N-CA 121.666 1.578 . . . . 0.0 111.208 173.514 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 87' ' ' GLU . . . . . . . . . . . . . 98.6 mt-10 -90.98 -22.58 20.74 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.073 -0.512 . . . . 0.0 111.155 174.775 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 88' ' ' GLU . . . . . . . . . . . . . 45.3 tp10 -74.97 -35.7 62.06 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.24 173.944 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 89' ' ' LEU . . . . . . . . . . . . . 3.9 pp -99.47 149.23 23.42 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.207 -176.981 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 90' ' ' LYS . . . . . . . . . . . . . 98.5 mttt -125.6 88.48 2.87 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.136 -179.928 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 91' ' ' VAL . . . . . . . . . . . . . 96.9 t -69.75 117.11 12.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.169 175.336 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 92' ' ' LYS . . . . . . . . . . . . . 98.3 mttt -130.77 169.74 15.3 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.203 177.611 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 93' ' ' VAL . . . . . 0.48 ' HA ' ' HA ' ' B' ' 98' ' ' ILE . 34.9 m -113.82 159.08 13.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.18 166.844 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 94' ' ' LEU . . . . . . . . . . . . . 27.0 tp -142.13 66.67 1.34 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.171 176.871 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 95' ' ' GLY . . . . . . . . . . . . . . . 73.92 -103.28 1.44 Allowed Glycine 0 CA--C 1.524 0.616 0 N-CA-C 111.195 -0.762 . . . . 0.0 111.195 174.252 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 96' ' ' ASP . . . . . . . . . . . . . 92.4 m-20 -79.55 -14.47 58.82 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-O 120.78 0.324 . . . . 0.0 111.171 -176.337 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 97' ' ' VAL . . . . . 0.582 ' HA ' ' HA ' ' B' ' 123' ' ' ARG . 34.7 m -123.75 175.8 6.02 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.186 -177.518 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 98' ' ' ILE . . . . . 0.48 ' HA ' ' HA ' ' B' ' 93' ' ' VAL . 83.4 mt -121.47 94.33 2.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.266 -0.424 . . . . 0.0 111.153 178.528 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 99' ' ' GLU . . . . . . . . . . . . . 88.4 tt0 -73.26 78.23 1.31 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.286 -171.864 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 100' ' ' VAL . . . . . 0.402 ' HB ' ' HB2' ' B' ' 120' ' ' ARG . 94.7 t -68.57 87.63 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.202 173.744 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 101' ' ' HIS . . . . . . . . . . . . . 13.7 t-160 -87.36 64.54 8.29 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.239 -175.425 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 102' ' ' GLY . . . . . . . . . . . . . . . -86.05 168.24 40.76 Favored Glycine 0 CA--C 1.523 0.586 0 N-CA-C 111.351 -0.7 . . . . 0.0 111.351 177.507 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 103' ' ' LYS . . . . . 0.411 ' HA ' ' O ' ' B' ' 116' ' ' ARG . 64.6 pttt -164.12 161.55 22.41 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-O 120.816 0.341 . . . . 0.0 111.187 176.827 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 104' ' ' HIS . . . . . 0.508 ' HB2' ' CD1' ' B' ' 84' ' ' PHE . 1.5 t-80 -133.97 102.16 5.32 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.219 164.06 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 105' ' ' GLU . . . . . . . . . . . . . 96.4 mt-10 -88.27 157.02 18.89 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.221 -179.48 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 106' ' ' GLU . . . . . . . . . . . . . 94.6 mt-10 48.33 49.96 17.18 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.222 -174.679 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 107' ' ' ARG . . . . . 0.451 ' HB3' HG13 ' B' ' 114' ' ' ILE . 74.7 ttt-85 -86.48 82.53 7.91 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.273 -171.364 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 108' ' ' GLN . . . . . . . . . . . . . 73.1 tp60 -56.59 124.11 17.16 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.131 177.175 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 109' ' ' ASP . . . . . . . . . . . . . 14.3 t0 -150.07 175.97 11.24 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.218 -179.548 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 110' ' ' GLU . . . . . . . . . . . . . 51.5 tp10 -52.05 -33.75 40.33 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.208 179.726 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 111' ' ' HIS . . . . . . . . . . . . . 85.6 m-70 -131.29 67.83 1.51 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.15 -175.601 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 112' ' ' GLY . . . . . . . . . . . . . . . -160.42 -137.9 2.32 Favored Glycine 0 CA--C 1.524 0.632 0 N-CA-C 111.084 -0.806 . . . . 0.0 111.084 179.623 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 113' ' ' PHE . . . . . . . . . . . . . 47.3 p90 -76.99 167.34 21.99 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.759 0.314 . . . . 0.0 111.201 9.617 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 114' ' ' ILE . . . . . 0.451 HG13 ' HB3' ' B' ' 107' ' ' ARG . 37.8 pt -128.78 177.34 6.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.204 -176.66 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 115' ' ' SER . . . . . 0.439 ' O ' ' HA ' ' A' ' 118' ' ' PHE . 47.8 t -138.39 110.12 7.12 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.103 171.983 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 116' ' ' ARG . . . . . 0.411 ' O ' ' HA ' ' B' ' 103' ' ' LYS . 59.4 ttp180 -106.02 88.41 2.8 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.175 -170.369 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 117' ' ' GLU . . . . . . . . . . . . . 81.8 tt0 -105.81 114.79 29.15 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.254 -177.048 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 118' ' ' PHE . . . . . 0.443 ' HA ' ' O ' ' A' ' 115' ' ' SER . 27.9 p90 -121.44 161.45 22.19 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.299 -172.131 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 119' ' ' HIS . . . . . 0.417 ' HB2' ' HB3' ' A' ' 115' ' ' SER . 13.2 m80 -131.53 66.07 1.55 Allowed 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.173 178.277 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 120' ' ' ARG . . . . . 0.402 ' HB2' ' HB ' ' B' ' 100' ' ' VAL . 98.9 mtt180 -75.86 96.3 3.67 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.211 -161.961 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 121' ' ' LYS . . . . . . . . . . . . . 98.3 mttt -86.43 76.9 9.56 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.173 -171.639 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 122' ' ' TYR . . . . . . . . . . . . . 97.7 m-85 -64.55 109.91 2.14 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.168 -178.232 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 123' ' ' ARG . . . . . 0.582 ' HA ' ' HA ' ' B' ' 97' ' ' VAL . 56.3 ttt180 -76.75 129.81 36.82 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.169 -166.675 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 124' ' ' ILE . . . . . . . . . . . . . 76.5 mt -82.13 122.83 79.84 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.108 -173.013 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 125' ' ' PRO . . . . . . . . . . . . . 86.5 Cg_exo -49.8 140.54 30.11 Favored 'Trans proline' 0 N--CA 1.458 -0.57 0 C-N-CA 121.581 1.521 . . . . 0.0 111.219 172.826 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 126' ' ' ALA . . . . . . . . . . . . . . . -59.51 -15.93 21.13 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.092 -0.504 . . . . 0.0 111.162 -176.763 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 127' ' ' ASP . . . . . . . . . . . . . 85.0 m-20 -94.94 9.13 40.48 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.354 -177.545 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 128' ' ' VAL . . . . . . . . . . . . . 96.9 t -123.33 133.37 69.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.134 -175.872 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 129' ' ' ASP . . . . . . . . . . . . . 65.4 t0 -87.61 118.9 70.39 Favored Pre-proline 0 C--N 1.328 -0.338 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.106 -179.281 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 130' ' ' PRO . . . . . . . . . . . . . 88.7 Cg_exo -52.71 -32.36 54.82 Favored 'Trans proline' 0 N--CA 1.458 -0.569 0 C-N-CA 121.698 1.598 . . . . 0.0 111.215 -179.345 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 131' ' ' LEU . . . . . . . . . . . . . 95.6 mt -72.28 -20.99 61.42 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.164 -171.84 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 132' ' ' THR . . . . . . . . . . . . . 57.9 p -88.56 -2.43 58.59 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.264 -177.909 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 133' ' ' ILE . . . . . . . . . . . . . 88.9 mt -95.76 120.07 44.66 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.166 -173.902 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 134' ' ' THR . . . . . . . . . . . . . 88.4 m -132.89 136.6 46.28 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.229 179.816 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 135' ' ' SER . . . . . 0.419 ' HA ' ' HA ' ' B' ' 145' ' ' VAL . 83.8 p -81.69 157.44 24.61 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.101 -177.302 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 136' ' ' SER . . . . . . . . . . . . . 44.5 t -150.73 139.39 20.67 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.231 172.233 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 137' ' ' LEU . . . . . . . . . . . . . 7.8 tt -135.43 139.88 44.48 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.242 -171.47 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 138' ' ' SER . . . . . . . . . . . . . 27.0 p -107.12 174.32 5.94 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.134 -176.32 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 139' ' ' SER . . . . . . . . . . . . . 86.1 p -67.75 -19.28 65.1 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.143 178.517 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 140' ' ' ASP . . . . . . . . . . . . . 88.5 m-20 -87.08 -12.97 45.6 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.293 -0.412 . . . . 0.0 111.122 178.348 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 141' ' ' GLY . . . . . . . . . . . . . . . 97.26 20.62 22.48 Favored Glycine 0 CA--C 1.522 0.525 0 N-CA-C 111.247 -0.741 . . . . 0.0 111.247 -179.69 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 142' ' ' VAL . . . . . . . . . . . . . 64.9 t -77.77 88.91 1.04 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-O 120.773 0.32 . . . . 0.0 111.141 179.248 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 143' ' ' LEU . . . . . . . . . . . . . 62.6 tp -96.19 122.92 39.56 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.266 -176.236 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 144' ' ' THR . . . . . . . . . . . . . 89.5 m -130.24 119.63 23.21 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.032 179.319 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 145' ' ' VAL . . . . . 0.419 ' HA ' ' HA ' ' B' ' 135' ' ' SER . 44.1 t -108.11 103.05 14.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.12 179.339 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 146' ' ' ASP . . . . . . . . . . . . . 4.0 p30 -142.96 138.54 30.17 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.108 -158.473 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 147' ' ' GLY . . . . . 0.446 ' HA2' ' HD3' ' B' ' 148' ' ' PRO . . . -146.95 137.91 6.98 Favored Glycine 0 CA--C 1.522 0.511 0 N-CA-C 111.267 -0.733 . . . . 0.0 111.267 174.405 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 148' ' ' PRO . . . . . 0.446 ' HD3' ' HA2' ' B' ' 147' ' ' GLY . 75.6 Cg_exo -57.43 151.65 51.99 Favored 'Trans proline' 0 N--CA 1.458 -0.609 0 C-N-CA 121.72 1.613 . . . . 0.0 111.248 -179.859 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 149' ' ' ARG . . . . . . . . . . . . . 74.7 ttt180 -48.88 151.76 1.17 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.135 175.327 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 150' ' ' LYS . . . . . . . . . . . . . 59.3 pttt -65.08 -15.54 62.49 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.121 -0.491 . . . . 0.0 111.207 -176.167 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 151' ' ' GLN . . . . . . . . . . . . . 99.3 mm-40 -87.75 -1.4 57.94 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.258 -179.836 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 152' ' ' VAL . . . . . . . . . . . . . 87.5 t . . . . . 0 C--O 1.22 -0.457 0 CA-C-O 117.829 -1.081 . . . . 0.0 111.176 179.13 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.524 0.597 0 N-CA-C 111.239 -0.744 . . . . 0.0 111.239 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 96.7 mt -95.91 -11.01 27.34 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.821 0.344 . . . . 0.0 111.277 178.707 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 89.7 p -134.15 3.45 3.41 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.09 -0.505 . . . . 0.0 111.185 -178.254 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 88.7 tt0 -149.13 134.94 18.83 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.193 179.726 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 68' ' ' MET . . . . . . . . . . . . . 62.0 ttp -74.34 122.23 22.6 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.227 179.391 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 78.9 ttt180 -144.87 148.78 34.33 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.259 -172.27 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 81.7 mt -78.7 138.72 38.4 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.15 173.77 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 71' ' ' GLU . . . . . 0.431 ' HB2' ' HB2' ' A' ' 74' ' ' ARG . 68.4 mm-40 -67.13 -175.61 0.46 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.284 165.276 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 87.9 tttt -39.96 -49.19 2.46 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.289 -0.414 . . . . 0.0 111.214 178.229 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 55.4 p-10 -149.93 36.38 0.69 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.207 174.321 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 74' ' ' ARG . . . . . 0.431 ' HB2' ' HB2' ' A' ' 71' ' ' GLU . 87.6 mtm180 -141.05 174.35 10.6 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.264 -179.81 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 75' ' ' PHE . . . . . 0.429 ' HB3' ' O ' ' A' ' 147' ' ' GLY . 32.1 t80 -122.38 131.62 53.98 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.202 -178.97 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 96.7 p -142.57 164.31 30.47 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.315 -0.402 . . . . 0.0 111.322 174.738 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 77' ' ' VAL . . . . . 0.734 ' O ' HG13 ' A' ' 77' ' ' VAL . 9.8 p -155.71 108.53 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.419 0 CA-C-N 116.33 -0.396 . . . . 0.0 111.234 178.205 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 74.2 m-80 -92.36 117.6 30.08 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.149 -178.843 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 81.8 mt -118.11 150.8 38.74 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.197 -171.401 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 65.7 t0 -86.67 112.73 21.91 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.255 -0.429 . . . . 0.0 111.172 177.138 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 27.0 m -136.25 22.35 0.9 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.291 -177.327 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 88.8 tttt -68.54 -41.7 79.48 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.176 -174.191 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 17.9 p-80 -79.11 -12.96 60.01 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.179 -175.978 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 84' ' ' PHE . . . . . . . . . . . . . 21.5 m-30 -72.61 152.92 41.51 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.251 -0.432 . . . . 0.0 111.264 177.12 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 85' ' ' SER . . . . . 0.445 ' O ' ' N ' ' A' ' 89' ' ' LEU . 72.6 m -100.36 147.81 34.06 Favored Pre-proline 0 C--N 1.328 -0.329 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.273 172.219 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 71.3 Cg_exo -54.22 -32.8 72.48 Favored 'Trans proline' 0 N--CA 1.458 -0.575 0 C-N-CA 121.766 1.644 . . . . 0.0 111.129 177.544 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 99.0 mt-10 -83.24 -19.39 36.5 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.309 -0.405 . . . . 0.0 111.194 -178.816 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 94.8 mt-10 -104.83 -11.49 16.75 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.333 -0.394 . . . . 0.0 111.226 -179.865 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 89' ' ' LEU . . . . . 0.445 ' N ' ' O ' ' A' ' 85' ' ' SER . 46.7 tp -97.29 113.35 24.96 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.292 -175.118 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 97.5 mttt -112.31 147.09 37.05 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.19 174.376 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 91' ' ' VAL . . . . . 0.499 ' O ' HG13 ' A' ' 91' ' ' VAL . 6.8 p -131.1 114.68 27.28 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.383 0 CA-C-N 116.067 -0.515 . . . . 0.0 111.199 173.752 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 99.4 mttt -132.65 169.58 16.45 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.234 -172.816 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 34.1 m -124.8 161.54 28.26 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.211 168.153 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 94' ' ' LEU . . . . . 0.415 ' HB3' ' HB ' ' A' ' 97' ' ' VAL . 46.7 tp -141.58 82.82 1.83 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.258 177.269 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 79.52 -105.65 2.31 Favored Glycine 0 CA--C 1.523 0.536 0 N-CA-C 111.206 -0.758 . . . . 0.0 111.206 -176.656 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 79.6 m-20 -90.4 -14.26 33.3 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.849 0.357 . . . . 0.0 111.203 169.665 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 97' ' ' VAL . . . . . 0.557 ' HA ' ' HA ' ' A' ' 123' ' ' ARG . 61.7 t -79.43 145.39 9.43 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.284 -173.757 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 98' ' ' ILE . . . . . . . . . . . . . 76.0 mt -110.03 82.79 0.64 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.377 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.252 168.194 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 84.8 tt0 -77.92 92.52 4.29 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.239 -177.322 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 100' ' ' VAL . . . . . 0.549 ' HB ' ' HB2' ' A' ' 120' ' ' ARG . 59.7 t -79.22 95.06 1.91 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.179 173.736 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 101' ' ' HIS . . . . . 0.469 ' O ' ' CD2' ' A' ' 101' ' ' HIS . 6.3 t-160 -89.53 68.69 7.81 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.199 -170.314 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . -85.08 167.41 41.68 Favored Glycine 0 CA--C 1.523 0.582 0 N-CA-C 111.205 -0.758 . . . . 0.0 111.205 179.111 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 103' ' ' LYS . . . . . 0.416 ' CB ' ' HA ' ' A' ' 117' ' ' GLU . 61.4 pttt -167.3 148.04 5.53 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.764 0.316 . . . . 0.0 111.157 169.963 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 104' ' ' HIS . . . . . . . . . . . . . 23.8 t-160 -123.0 108.89 13.43 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.205 168.98 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 88.6 mt-10 -93.95 162.73 13.78 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.233 -179.992 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 94.9 mt-10 48.19 57.48 6.09 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.219 -175.428 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 107' ' ' ARG . . . . . 0.421 ' HD3' HD11 ' A' ' 114' ' ' ILE . 72.8 ttt-85 -104.63 92.0 4.1 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.195 -168.506 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 108' ' ' GLN . . . . . . . . . . . . . 68.4 tp60 -41.05 118.98 1.08 Allowed 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.201 176.966 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 6.2 t0 -116.95 -169.98 1.75 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.105 179.369 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 78.6 mm-40 -83.28 -15.95 48.16 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.151 177.932 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 111' ' ' HIS . . . . . 0.426 ' HB2' ' CZ ' ' B' ' 122' ' ' TYR . 99.0 m-70 -105.55 -16.09 14.81 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.218 179.779 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 167.09 -108.51 0.31 Allowed Glycine 0 CA--C 1.524 0.602 0 N-CA-C 111.189 -0.764 . . . . 0.0 111.189 179.576 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 113' ' ' PHE . . . . . . . . . . . . . 35.5 p90 -150.22 158.03 43.72 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.809 0.338 . . . . 0.0 111.187 159.497 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 114' ' ' ILE . . . . . 0.421 HD11 ' HD3' ' A' ' 107' ' ' ARG . 44.8 pt -129.27 165.3 29.53 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.297 -171.795 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 115' ' ' SER . . . . . 0.519 ' HB3' ' HB2' ' B' ' 119' ' ' HIS . 12.7 t -123.22 115.44 21.74 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.226 164.345 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 116' ' ' ARG . . . . . . . . . . . . . 44.3 ttp180 -119.27 102.49 8.73 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.213 -166.544 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 117' ' ' GLU . . . . . 0.416 ' HA ' ' CB ' ' A' ' 103' ' ' LYS . 86.8 tt0 -105.66 129.29 53.92 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.174 -171.298 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 118' ' ' PHE . . . . . 0.408 ' HB3' ' HG3' ' A' ' 120' ' ' ARG . 68.1 m-85 -108.84 151.78 25.78 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.226 -172.46 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 119' ' ' HIS . . . . . 0.507 ' HB2' ' HB3' ' B' ' 115' ' ' SER . 26.6 m80 -133.09 70.35 1.47 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.158 162.628 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 120' ' ' ARG . . . . . 0.549 ' HB2' ' HB ' ' A' ' 100' ' ' VAL . 99.3 mtt180 -74.58 81.08 1.99 Allowed 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.11 -0.495 . . . . 0.0 111.266 -161.283 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 121' ' ' LYS . . . . . . . . . . . . . 95.1 mttt -75.65 84.61 2.67 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.079 -0.51 . . . . 0.0 111.273 -177.574 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 122' ' ' TYR . . . . . 0.449 ' CZ ' ' HB3' ' A' ' 120' ' ' ARG . 16.2 m-85 -97.97 107.33 19.79 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.275 176.595 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 123' ' ' ARG . . . . . 0.557 ' HA ' ' HA ' ' A' ' 97' ' ' VAL . 59.6 ttt180 -88.11 143.11 27.25 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.123 -161.032 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 124' ' ' ILE . . . . . . . . . . . . . 78.7 mt -73.78 125.01 90.73 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.183 -170.583 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 125' ' ' PRO . . . . . . . . . . . . . 84.3 Cg_exo -50.01 140.83 31.17 Favored 'Trans proline' 0 C--N 1.328 -0.522 0 C-N-CA 121.741 1.627 . . . . 0.0 111.093 174.27 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . -58.0 -21.51 45.2 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.174 -171.676 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 127' ' ' ASP . . . . . . . . . . . . . 93.2 m-20 -100.64 25.91 7.32 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.221 -176.569 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 128' ' ' VAL . . . . . 0.444 ' HA ' ' HA ' ' A' ' 149' ' ' ARG . 98.8 t -129.26 134.84 63.12 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.368 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.115 178.901 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 64.0 t0 -87.4 115.92 64.4 Favored Pre-proline 0 C--N 1.328 -0.333 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.238 -175.697 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 130' ' ' PRO . . . . . . . . . . . . . 79.8 Cg_exo -55.33 -33.27 84.63 Favored 'Trans proline' 0 N--CA 1.458 -0.611 0 C-N-CA 121.75 1.634 . . . . 0.0 111.173 -177.015 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 131' ' ' LEU . . . . . . . . . . . . . 97.9 mt -85.66 4.98 34.0 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.22 -168.379 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 132' ' ' THR . . . . . . . . . . . . . 73.1 p -115.33 4.17 14.36 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.177 178.162 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 133' ' ' ILE . . . . . . . . . . . . . 95.5 mt -94.04 126.19 46.5 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.152 -175.396 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 134' ' ' THR . . . . . . . . . . . . . 93.6 m -128.05 130.72 48.71 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.237 179.152 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 135' ' ' SER . . . . . 0.443 ' HA ' ' HA ' ' A' ' 145' ' ' VAL . 85.8 p -83.1 154.54 24.3 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.13 -179.532 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 136' ' ' SER . . . . . . . . . . . . . 43.8 t -146.9 132.49 18.77 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.145 176.486 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 137' ' ' LEU . . . . . . . . . . . . . 63.5 tp -108.47 126.26 52.71 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.157 -178.867 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 138' ' ' SER . . . . . . . . . . . . . 65.1 p -92.96 165.1 13.03 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.118 -178.797 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 139' ' ' SER . . . . . . . . . . . . . 87.5 p -73.79 -14.38 61.1 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.136 -0.483 . . . . 0.0 111.236 177.058 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 140' ' ' ASP . . . . . . . . . . . . . 92.9 m-20 -85.75 -5.07 59.3 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.184 178.037 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 141' ' ' GLY . . . . . . . . . . . . . . . 84.42 39.73 8.85 Favored Glycine 0 CA--C 1.523 0.555 0 N-CA-C 111.128 -0.789 . . . . 0.0 111.128 179.216 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 142' ' ' VAL . . . . . . . . . . . . . 78.6 t -116.23 121.28 67.18 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-O 120.785 0.326 . . . . 0.0 111.206 175.446 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 143' ' ' LEU . . . . . . . . . . . . . 61.5 tp -97.31 124.99 41.61 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.23 177.587 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 144' ' ' THR . . . . . . . . . . . . . 88.9 m -120.54 107.38 12.78 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.176 -177.557 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 145' ' ' VAL . . . . . 0.443 ' HA ' ' HA ' ' A' ' 135' ' ' SER . 46.8 t -103.25 99.65 8.83 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.166 -179.317 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 146' ' ' ASP . . . . . 0.549 ' C ' ' OD1' ' A' ' 146' ' ' ASP . 9.8 t0 -137.22 115.44 11.72 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.139 -155.877 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 147' ' ' GLY . . . . . 0.429 ' O ' ' HB3' ' A' ' 75' ' ' PHE . . . -131.85 156.79 22.1 Favored Glycine 0 CA--C 1.523 0.561 0 N-CA-C 111.182 -0.767 . . . . 0.0 111.182 168.448 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 148' ' ' PRO . . . . . . . . . . . . . 58.0 Cg_endo -70.06 163.37 38.75 Favored 'Trans proline' 0 N--CA 1.456 -0.677 0 C-N-CA 121.72 1.614 . . . . 0.0 111.259 -179.864 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 149' ' ' ARG . . . . . 0.444 ' HA ' ' HA ' ' A' ' 128' ' ' VAL . 82.1 mtp180 -76.55 -169.2 1.16 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.13 -177.12 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 150' ' ' LYS . . . . . . . . . . . . . 96.2 mttt -95.2 -17.14 22.0 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.221 175.597 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 151' ' ' GLN . . . . . . . . . . . . . 100.0 mm-40 -99.92 -2.84 33.71 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.106 175.051 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 152' ' ' VAL . . . . . . . . . . . . . 13.2 p . . . . . 0 C--O 1.219 -0.505 0 CA-C-O 117.993 -1.003 . . . . 0.0 111.161 178.855 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' B' B ' 64' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.523 0.542 0 N-CA-C 111.121 -0.792 . . . . 0.0 111.121 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' B' B ' 65' ' ' LEU . . . . . . . . . . . . . 96.5 mt -95.9 -10.99 27.38 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 120.845 0.355 . . . . 0.0 111.321 178.616 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 66' ' ' SER . . . . . . . . . . . . . 89.6 p -134.23 3.49 3.39 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.235 -178.27 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 67' ' ' GLU . . . . . . . . . . . . . 88.7 tt0 -149.15 135.11 18.97 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.083 179.608 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 68' ' ' MET . . . . . . . . . . . . . 62.1 ttp -74.4 122.29 22.75 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.129 179.414 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 69' ' ' ARG . . . . . . . . . . . . . 78.9 ttt180 -145.05 148.7 33.99 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.22 -172.204 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 70' ' ' LEU . . . . . . . . . . . . . 82.0 mt -78.74 138.71 38.37 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.275 173.769 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 71' ' ' GLU . . . . . 0.442 ' HB2' ' HB2' ' B' ' 74' ' ' ARG . 68.5 mm-40 -67.11 -175.6 0.46 Allowed 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.3 165.373 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 72' ' ' LYS . . . . . . . . . . . . . 87.9 tttt -39.91 -49.28 2.43 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.264 178.249 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 73' ' ' ASP . . . . . . . . . . . . . 55.4 p-10 -149.76 36.34 0.71 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.216 174.239 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 74' ' ' ARG . . . . . 0.442 ' HB2' ' HB2' ' B' ' 71' ' ' GLU . 87.5 mtm180 -140.89 174.31 10.64 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.256 -179.709 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 75' ' ' PHE . . . . . 0.434 ' HB3' ' O ' ' B' ' 147' ' ' GLY . 32.8 t80 -122.45 131.67 53.98 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.206 -179.126 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 76' ' ' SER . . . . . . . . . . . . . 95.2 p -142.59 164.29 30.51 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.296 174.717 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 77' ' ' VAL . . . . . 0.712 ' O ' HG13 ' B' ' 77' ' ' VAL . 9.7 p -155.69 108.58 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.221 178.178 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 78' ' ' ASN . . . . . . . . . . . . . 74.3 m-80 -92.45 117.67 30.17 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.19 -178.895 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 79' ' ' LEU . . . . . . . . . . . . . 82.7 mt -118.07 150.85 38.63 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.157 -171.42 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 80' ' ' ASP . . . . . . . . . . . . . 65.7 t0 -86.67 112.72 21.91 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.145 177.09 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 81' ' ' VAL . . . . . . . . . . . . . 27.2 m -136.3 22.44 0.89 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.362 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.274 -177.372 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 82' ' ' LYS . . . . . . . . . . . . . 88.8 tttt -68.55 -41.71 79.44 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.094 -0.503 . . . . 0.0 111.221 -174.223 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 83' ' ' HIS . . . . . . . . . . . . . 17.9 p-80 -79.08 -12.95 60.02 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.198 -176.065 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 84' ' ' PHE . . . . . . . . . . . . . 21.4 m-30 -72.71 153.15 41.3 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.188 177.181 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 85' ' ' SER . . . . . 0.429 ' O ' ' N ' ' B' ' 89' ' ' LEU . 72.4 m -100.45 147.86 34.16 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.167 172.319 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 86' ' ' PRO . . . . . . . . . . . . . 71.0 Cg_exo -54.32 -32.75 73.24 Favored 'Trans proline' 0 N--CA 1.459 -0.535 0 C-N-CA 121.644 1.563 . . . . 0.0 111.166 177.5 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 87' ' ' GLU . . . . . . . . . . . . . 99.0 mt-10 -83.32 -19.13 36.77 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.224 -178.825 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 88' ' ' GLU . . . . . . . . . . . . . 94.9 mt-10 -105.12 -11.49 16.56 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.289 -0.414 . . . . 0.0 111.055 -179.696 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 89' ' ' LEU . . . . . 0.429 ' N ' ' O ' ' B' ' 85' ' ' SER . 47.1 tp -97.23 113.25 24.84 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.327 -175.171 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 90' ' ' LYS . . . . . . . . . . . . . 97.5 mttt -112.42 147.05 37.29 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.322 -0.399 . . . . 0.0 111.261 174.337 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 91' ' ' VAL . . . . . 0.491 ' O ' HG13 ' B' ' 91' ' ' VAL . 6.7 p -131.02 114.65 27.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.307 173.803 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 92' ' ' LYS . . . . . . . . . . . . . 99.3 mttt -132.63 169.58 16.43 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.318 -0.401 . . . . 0.0 111.204 -172.725 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 93' ' ' VAL . . . . . . . . . . . . . 34.1 m -124.69 161.58 27.95 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.188 168.146 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 94' ' ' LEU . . . . . 0.429 ' HB3' ' HB ' ' B' ' 97' ' ' VAL . 47.3 tp -141.54 82.82 1.83 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.064 -0.516 . . . . 0.0 111.115 177.294 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 95' ' ' GLY . . . . . . . . . . . . . . . 79.51 -105.7 2.32 Favored Glycine 0 CA--C 1.522 0.519 0 N-CA-C 111.264 -0.734 . . . . 0.0 111.264 -176.593 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 96' ' ' ASP . . . . . . . . . . . . . 79.7 m-20 -90.42 -14.38 33.03 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.695 0.283 . . . . 0.0 111.123 169.697 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 97' ' ' VAL . . . . . 0.557 ' HA ' ' HA ' ' B' ' 123' ' ' ARG . 61.9 t -79.42 145.43 9.38 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.239 -173.725 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 98' ' ' ILE . . . . . . . . . . . . . 76.9 mt -110.1 83.11 0.65 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.148 168.14 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 99' ' ' GLU . . . . . . . . . . . . . 84.6 tt0 -77.98 92.31 4.31 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.245 -177.411 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 100' ' ' VAL . . . . . 0.574 ' HB ' ' HB2' ' B' ' 120' ' ' ARG . 59.7 t -79.12 95.03 1.87 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.241 173.708 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 101' ' ' HIS . . . . . 0.463 ' O ' ' CD2' ' B' ' 101' ' ' HIS . 6.3 t-160 -89.52 68.74 7.84 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.149 -170.297 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 102' ' ' GLY . . . . . . . . . . . . . . . -85.23 167.47 41.47 Favored Glycine 0 CA--C 1.525 0.671 0 N-CA-C 111.092 -0.803 . . . . 0.0 111.092 179.188 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 103' ' ' LYS . . . . . 0.422 ' CB ' ' HA ' ' B' ' 117' ' ' GLU . 61.5 pttt -167.4 147.92 5.41 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.787 0.327 . . . . 0.0 111.195 170.003 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 104' ' ' HIS . . . . . . . . . . . . . 23.8 t-160 -122.9 108.85 13.44 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.279 168.916 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 105' ' ' GLU . . . . . . . . . . . . . 88.4 mt-10 -93.92 162.69 13.8 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.185 -179.977 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 106' ' ' GLU . . . . . . . . . . . . . 94.8 mt-10 48.28 57.44 6.17 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.234 -175.429 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 107' ' ' ARG . . . . . 0.437 ' HD3' HD11 ' B' ' 114' ' ' ILE . 72.8 ttt-85 -104.62 91.94 4.08 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.245 -168.484 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 108' ' ' GLN . . . . . . . . . . . . . 68.5 tp60 -40.91 118.94 1.05 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.287 -0.415 . . . . 0.0 111.137 176.997 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 109' ' ' ASP . . . . . . . . . . . . . 6.1 t0 -116.91 -170.01 1.75 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.168 179.216 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 110' ' ' GLU . . . . . . . . . . . . . 78.5 mm-40 -83.17 -15.97 48.49 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.359 -0.382 . . . . 0.0 111.315 177.81 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 111' ' ' HIS . . . . . 0.425 ' HB2' ' CZ ' ' A' ' 122' ' ' TYR . 99.1 m-70 -105.57 -16.06 14.81 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.2 179.741 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 112' ' ' GLY . . . . . . . . . . . . . . . 167.13 -108.53 0.31 Allowed Glycine 0 CA--C 1.523 0.553 0 N-CA-C 111.182 -0.767 . . . . 0.0 111.182 179.553 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 113' ' ' PHE . . . . . . . . . . . . . 35.5 p90 -150.2 158.13 43.83 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.829 0.347 . . . . 0.0 111.184 159.428 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 114' ' ' ILE . . . . . 0.437 HD11 ' HD3' ' B' ' 107' ' ' ARG . 44.8 pt -129.35 165.19 29.9 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.196 -171.686 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 115' ' ' SER . . . . . 0.507 ' HB3' ' HB2' ' A' ' 119' ' ' HIS . 12.8 t -123.16 115.51 21.9 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.182 164.262 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 116' ' ' ARG . . . . . . . . . . . . . 44.3 ttp180 -119.28 102.47 8.72 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.186 -166.562 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 117' ' ' GLU . . . . . 0.422 ' HA ' ' CB ' ' B' ' 103' ' ' LYS . 86.8 tt0 -105.62 129.26 53.9 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.189 -171.307 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 118' ' ' PHE . . . . . 0.425 ' HB3' ' HG3' ' B' ' 120' ' ' ARG . 67.5 m-85 -108.85 151.77 25.8 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.302 -0.408 . . . . 0.0 111.266 -172.502 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 119' ' ' HIS . . . . . 0.519 ' HB2' ' HB3' ' A' ' 115' ' ' SER . 26.4 m80 -133.0 70.22 1.47 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.138 162.703 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 120' ' ' ARG . . . . . 0.574 ' HB2' ' HB ' ' B' ' 100' ' ' VAL . 99.3 mtt180 -74.56 81.06 1.98 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.198 -161.147 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 121' ' ' LYS . . . . . . . . . . . . . 95.0 mttt -75.79 84.7 2.76 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.166 -177.471 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 122' ' ' TYR . . . . . 0.438 ' CZ ' ' HB3' ' B' ' 120' ' ' ARG . 16.1 m-85 -97.99 107.38 19.84 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.292 176.524 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 123' ' ' ARG . . . . . 0.557 ' HA ' ' HA ' ' B' ' 97' ' ' VAL . 59.5 ttt180 -88.25 143.24 27.15 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.217 -160.998 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 124' ' ' ILE . . . . . . . . . . . . . 78.8 mt -73.85 125.03 90.66 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.177 -170.419 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 125' ' ' PRO . . . . . . . . . . . . . 86.1 Cg_exo -49.9 140.88 30.15 Favored 'Trans proline' 0 N--CA 1.459 -0.554 0 C-N-CA 121.688 1.592 . . . . 0.0 111.134 174.182 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 126' ' ' ALA . . . . . . . . . . . . . . . -58.1 -21.34 45.86 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.267 -171.739 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 127' ' ' ASP . . . . . . . . . . . . . 93.6 m-20 -100.72 25.78 7.52 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.18 -176.538 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 128' ' ' VAL . . . . . 0.445 ' HA ' ' HA ' ' B' ' 149' ' ' ARG . 98.2 t -129.24 134.87 63.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.219 178.791 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 129' ' ' ASP . . . . . . . . . . . . . 64.1 t0 -87.34 115.96 64.51 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.191 -175.571 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 130' ' ' PRO . . . . . . . . . . . . . 80.2 Cg_exo -55.36 -33.2 84.57 Favored 'Trans proline' 0 N--CA 1.458 -0.616 0 C-N-CA 121.697 1.598 . . . . 0.0 111.224 -177.089 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 131' ' ' LEU . . . . . . . . . . . . . 97.8 mt -85.67 4.96 34.13 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.181 -168.404 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 132' ' ' THR . . . . . . . . . . . . . 76.1 p -115.32 4.24 14.38 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.275 -0.42 . . . . 0.0 111.209 178.093 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 133' ' ' ILE . . . . . 0.404 ' HA ' ' HA3' ' B' ' 147' ' ' GLY . 95.2 mt -94.11 126.16 46.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.185 -175.462 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 134' ' ' THR . . . . . . . . . . . . . 93.3 m -127.98 130.73 48.85 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.261 179.081 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 135' ' ' SER . . . . . 0.442 ' HA ' ' HA ' ' B' ' 145' ' ' VAL . 85.5 p -83.07 154.58 24.32 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.008 -0.542 . . . . 0.0 111.175 -179.583 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 136' ' ' SER . . . . . . . . . . . . . 43.7 t -146.89 132.39 18.68 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.269 176.451 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 137' ' ' LEU . . . . . . . . . . . . . 63.6 tp -108.42 126.15 52.56 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.332 -0.394 . . . . 0.0 111.155 -178.778 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 138' ' ' SER . . . . . . . . . . . . . 63.5 p -92.89 165.26 12.98 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.166 -178.819 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 139' ' ' SER . . . . . . . . . . . . . 88.1 p -73.96 -14.33 61.02 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.033 -0.53 . . . . 0.0 111.115 177.184 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 140' ' ' ASP . . . . . . . . . . . . . 92.8 m-20 -85.84 -5.01 59.31 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.233 178.063 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 141' ' ' GLY . . . . . . . . . . . . . . . 84.31 39.72 8.94 Favored Glycine 0 CA--C 1.523 0.557 0 N-CA-C 111.171 -0.772 . . . . 0.0 111.171 179.139 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 142' ' ' VAL . . . . . . . . . . . . . 79.7 t -116.1 121.25 67.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-O 120.79 0.329 . . . . 0.0 111.197 175.437 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 143' ' ' LEU . . . . . . . . . . . . . 61.6 tp -97.27 125.05 41.58 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.189 177.539 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 144' ' ' THR . . . . . . . . . . . . . 89.0 m -120.47 107.18 12.57 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.239 -177.589 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 145' ' ' VAL . . . . . 0.442 ' HA ' ' HA ' ' B' ' 135' ' ' SER . 46.4 t -103.11 99.74 9.0 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.213 -179.335 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 146' ' ' ASP . . . . . 0.543 ' OD1' ' C ' ' B' ' 146' ' ' ASP . 9.7 t0 -137.4 115.47 11.62 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.293 -0.412 . . . . 0.0 111.141 -155.795 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 147' ' ' GLY . . . . . 0.434 ' O ' ' HB3' ' B' ' 75' ' ' PHE . . . -131.97 156.84 22.15 Favored Glycine 0 CA--C 1.524 0.639 0 N-CA-C 111.158 -0.777 . . . . 0.0 111.158 168.548 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 148' ' ' PRO . . . . . . . . . . . . . 57.7 Cg_endo -70.18 163.24 39.34 Favored 'Trans proline' 0 N--CA 1.458 -0.595 0 C-N-CA 121.655 1.57 . . . . 0.0 111.245 -179.808 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 149' ' ' ARG . . . . . 0.445 ' HA ' ' HA ' ' B' ' 128' ' ' VAL . 82.0 mtp180 -76.42 -169.21 1.14 Allowed 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.229 -177.133 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 150' ' ' LYS . . . . . . . . . . . . . 96.2 mttt -95.22 -17.14 21.98 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.124 175.69 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 151' ' ' GLN . . . . . . . . . . . . . 99.9 mm-40 -99.96 -2.81 33.68 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.196 175.09 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 152' ' ' VAL . . . . . . . . . . . . . 13.4 p . . . . . 0 C--O 1.22 -0.496 0 CA-C-O 117.919 -1.039 . . . . 0.0 111.069 178.891 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.523 0.566 0 N-CA-C 111.283 -0.727 . . . . 0.0 111.283 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 94.9 mt -107.39 23.17 14.85 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-O 120.746 0.308 . . . . 0.0 111.168 -179.978 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 96.4 p -130.51 -10.6 4.05 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.169 178.9 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 97.0 mt-10 -101.25 163.38 12.31 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.146 -175.719 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 68' ' ' MET . . . . . . . . . . . . . 75.0 mtm -106.52 118.81 37.64 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.145 177.794 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 79.2 ttt180 -84.19 107.18 16.36 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.172 179.473 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 57.8 tp -106.93 97.17 6.98 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.231 175.36 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 71' ' ' GLU . . . . . 0.514 ' O ' ' C ' ' A' ' 72' ' ' LYS . 77.1 mm-40 -73.45 163.42 28.07 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.187 172.1 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 72' ' ' LYS . . . . . 0.514 ' C ' ' O ' ' A' ' 71' ' ' GLU . 88.1 tttt -28.19 -59.52 0.12 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.207 -179.388 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 52.4 p-10 -133.66 54.69 1.94 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.189 -179.044 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 80.3 ttt180 -161.51 125.85 3.39 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.117 171.876 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 75' ' ' PHE . . . . . . . . . . . . . 80.5 t80 -104.01 117.14 33.58 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.265 -177.889 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 33.5 t -127.22 141.1 51.82 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.19 -175.443 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 87.2 t -112.44 120.67 63.18 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.251 175.873 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 87.1 m-20 -90.76 132.47 35.82 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.293 -0.412 . . . . 0.0 111.292 175.455 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 79' ' ' LEU . . . . . 0.404 ' HB2' ' HB3' ' A' ' 143' ' ' LEU . 58.9 mt -134.05 142.65 47.66 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.206 -170.206 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 66.5 t0 -89.68 111.75 22.8 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.285 -0.416 . . . . 0.0 111.202 -175.543 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 81' ' ' VAL . . . . . 0.55 ' O ' HG12 ' A' ' 81' ' ' VAL . 53.0 t -119.37 -5.76 10.9 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.162 176.195 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 82' ' ' LYS . . . . . 0.496 ' C ' ' O ' ' A' ' 81' ' ' VAL . 87.6 tttt -27.47 -59.19 0.1 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.111 175.233 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 96.5 m-70 -82.72 -31.76 28.33 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.156 -175.053 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 84' ' ' PHE . . . . . 0.449 ' HB2' HG13 ' A' ' 81' ' ' VAL . 22.5 m-85 -71.51 151.52 43.84 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.28 -174.985 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 85' ' ' SER . . . . . 0.408 ' O ' ' HG ' ' A' ' 89' ' ' LEU . 70.2 m -99.21 137.71 20.44 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.028 174.594 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 81.9 Cg_exo -53.39 -34.32 70.62 Favored 'Trans proline' 0 N--CA 1.457 -0.618 0 C-N-CA 121.656 1.571 . . . . 0.0 111.178 177.214 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 99.3 mt-10 -78.87 -15.48 58.29 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.229 -0.442 . . . . 0.0 111.145 178.734 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 48.4 mt-10 -99.08 -13.22 19.92 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.106 177.815 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 89' ' ' LEU . . . . . 0.408 ' HG ' ' O ' ' A' ' 85' ' ' SER . 59.5 mt -72.44 132.52 44.01 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.319 -0.401 . . . . 0.0 111.196 178.148 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 98.7 mttt -122.18 45.55 2.32 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.154 170.662 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 90.1 t -66.37 120.35 13.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.139 -173.589 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 97.2 mttt -140.9 172.72 12.29 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.132 -168.913 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 33.4 m -123.71 164.99 20.81 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.063 -0.517 . . . . 0.0 111.213 167.567 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 94' ' ' LEU . . . . . 0.403 ' HB3' ' CG2' ' A' ' 97' ' ' VAL . 27.1 tp -144.45 71.21 1.3 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.22 177.646 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 82.74 -104.17 2.51 Favored Glycine 0 CA--C 1.523 0.58 0 N-CA-C 111.176 -0.769 . . . . 0.0 111.176 -179.378 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 48.6 p-10 -102.82 23.35 12.27 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 120.734 0.302 . . . . 0.0 111.164 -177.523 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 97' ' ' VAL . . . . . 0.415 HG21 ' HD3' ' A' ' 121' ' ' LYS . 27.5 m -134.26 162.77 38.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.276 175.195 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 98' ' ' ILE . . . . . 0.435 ' HB ' ' HB2' ' A' ' 122' ' ' TYR . 62.1 mt -119.4 91.07 1.72 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.4 0 CA-C-N 116.319 -0.401 . . . . 0.0 111.227 175.214 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 87.3 tt0 -71.88 83.38 0.93 Allowed 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.158 -179.011 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 100' ' ' VAL . . . . . . . . . . . . . 62.1 t -75.74 80.48 0.59 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.211 179.618 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 101' ' ' HIS . . . . . . . . . . . . . 64.5 t-80 -87.37 141.88 28.3 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.248 178.962 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 102' ' ' GLY . . . . . 0.418 ' O ' ' HB3' ' A' ' 103' ' ' LYS . . . -157.8 -175.1 28.34 Favored Glycine 0 CA--C 1.523 0.585 0 N-CA-C 111.173 -0.771 . . . . 0.0 111.173 -179.418 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 103' ' ' LYS . . . . . 0.418 ' HB3' ' O ' ' A' ' 102' ' ' GLY . 65.5 pttt -177.17 152.18 0.86 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.831 0.348 . . . . 0.0 111.081 169.295 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 104' ' ' HIS . . . . . . . . . . . . . 8.6 p-80 -120.73 153.02 37.54 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.08 -0.509 . . . . 0.0 111.223 161.729 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 97.3 mt-10 -133.44 150.77 51.75 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.166 179.745 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 81.5 mm-40 45.84 58.18 4.55 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.141 -0.482 . . . . 0.0 111.226 -179.612 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 107' ' ' ARG . . . . . 0.558 ' HB3' HG13 ' A' ' 114' ' ' ILE . 7.7 tpt180 -104.46 82.47 1.92 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.096 -171.355 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 108' ' ' GLN . . . . . . . . . . . . . 70.6 tp60 -59.62 123.45 16.93 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.119 179.98 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 44.3 p30 -133.59 -158.17 0.87 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.212 179.059 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 99.9 mt-10 -69.16 -23.06 63.9 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.295 -0.411 . . . . 0.0 111.21 -176.923 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 111' ' ' HIS . . . . . 0.408 ' HB3' ' CE2' ' B' ' 122' ' ' TYR . 71.0 m80 -129.21 68.19 1.42 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.235 -171.422 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 84.93 -154.32 29.09 Favored Glycine 0 CA--C 1.524 0.61 0 N-CA-C 111.173 -0.771 . . . . 0.0 111.173 -174.704 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 113' ' ' PHE . . . . . 0.401 ' CD1' ' C ' ' A' ' 113' ' ' PHE . 3.0 p90 -121.06 150.22 41.52 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.768 0.318 . . . . 0.0 111.159 162.305 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 114' ' ' ILE . . . . . 0.558 HG13 ' HB3' ' A' ' 107' ' ' ARG . 37.4 pt -119.96 150.87 22.52 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.124 -175.248 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 42.7 t -142.86 108.01 4.97 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.227 174.835 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 116' ' ' ARG . . . . . . . . . . . . . 72.4 mtp180 -130.28 137.91 50.22 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.208 -165.311 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 72.9 mm-40 -85.12 161.74 19.54 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.189 168.536 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 118' ' ' PHE . . . . . . . . . . . . . 29.1 t80 -139.96 141.16 36.45 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.225 -178.676 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 119' ' ' HIS . . . . . 0.4 ' O ' ' CG ' ' A' ' 119' ' ' HIS . 15.7 t-160 -162.53 60.95 0.21 Allowed 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.31 -0.404 . . . . 0.0 111.265 -172.602 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 40.4 ttm180 -89.88 103.67 16.3 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.248 178.824 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 121' ' ' LYS . . . . . 0.415 ' HD3' HG21 ' A' ' 97' ' ' VAL . 41.1 ttmt -96.47 106.89 19.21 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.299 -178.399 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 122' ' ' TYR . . . . . 0.435 ' HB2' ' HB ' ' A' ' 98' ' ' ILE . 37.3 m-85 -76.23 160.79 29.34 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.282 175.814 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 123' ' ' ARG . . . . . . . . . . . . . 11.1 mpt_? -107.11 123.5 48.33 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.124 166.365 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 124' ' ' ILE . . . . . . . . . . . . . 90.7 mt -73.75 125.1 90.68 Favored Pre-proline 0 C--N 1.328 -0.347 0 CA-C-N 116.043 -0.526 . . . . 0.0 111.274 -175.18 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 125' ' ' PRO . . . . . . . . . . . . . 78.7 Cg_exo -52.06 144.14 38.45 Favored 'Trans proline' 0 N--CA 1.457 -0.633 0 C-N-CA 121.768 1.645 . . . . 0.0 111.23 175.009 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . -58.02 -22.88 51.83 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.237 -177.544 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 127' ' ' ASP . . . . . . . . . . . . . 81.1 m-20 -97.67 9.23 43.07 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.196 -176.957 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 128' ' ' VAL . . . . . . . . . . . . . 98.3 t -112.29 122.84 67.3 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.278 170.874 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 60.1 t0 -85.33 122.11 73.72 Favored Pre-proline 0 C--N 1.33 -0.28 0 CA-C-N 116.091 -0.504 . . . . 0.0 111.253 176.794 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 130' ' ' PRO . . . . . 0.433 ' HA ' HD12 ' A' ' 133' ' ' ILE . 74.7 Cg_exo -50.25 -34.22 39.21 Favored 'Trans proline' 0 C--N 1.328 -0.539 0 C-N-CA 121.738 1.625 . . . . 0.0 111.192 -178.71 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 131' ' ' LEU . . . . . . . . . . . . . 95.7 mt -73.79 -22.39 59.84 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.282 -175.526 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 132' ' ' THR . . . . . . . . . . . . . 77.5 p -94.14 2.17 56.0 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.264 -177.264 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 133' ' ' ILE . . . . . 0.433 HD12 ' HA ' ' A' ' 130' ' ' PRO . 93.9 mt -85.11 122.6 38.42 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.262 177.972 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 134' ' ' THR . . . . . . . . . . . . . 60.9 p -109.73 168.35 9.48 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.307 -0.406 . . . . 0.0 111.105 175.989 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 135' ' ' SER . . . . . . . . . . . . . 35.7 t -144.56 135.69 25.19 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.265 -176.711 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 136' ' ' SER . . . . . . . . . . . . . 99.6 p -145.19 150.99 37.71 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.17 177.284 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 137' ' ' LEU . . . . . . . . . . . . . 56.7 tp -133.74 129.27 36.45 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.126 -172.833 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 138' ' ' SER . . . . . . . . . . . . . 60.0 p -88.33 166.65 14.14 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.128 177.931 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 139' ' ' SER . . . . . . . . . . . . . 89.4 p -73.95 -13.16 60.84 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.181 177.308 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 140' ' ' ASP . . . . . . . . . . . . . 92.7 m-20 -84.9 -8.56 58.72 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.062 177.878 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 141' ' ' GLY . . . . . . . . . . . . . . . 89.97 31.16 11.32 Favored Glycine 0 CA--C 1.524 0.607 0 N-CA-C 111.21 -0.756 . . . . 0.0 111.21 -179.772 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 142' ' ' VAL . . . . . . . . . . . . . 66.6 t -99.61 104.87 16.64 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.364 0 CA-C-O 120.802 0.334 . . . . 0.0 111.134 174.488 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 143' ' ' LEU . . . . . 0.404 ' HB3' ' HB2' ' A' ' 79' ' ' LEU . 56.3 tp -102.52 126.71 49.67 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.19 -177.807 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 144' ' ' THR . . . . . . . . . . . . . 93.6 m -122.97 117.38 25.38 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.175 -176.669 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 145' ' ' VAL . . . . . . . . . . . . . 57.4 t -121.03 113.4 39.58 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.101 177.75 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 146' ' ' ASP . . . . . . . . . . . . . 9.9 p-10 -142.75 134.91 27.35 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.233 -159.437 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 147' ' ' GLY . . . . . . . . . . . . . . . -123.97 105.12 0.87 Allowed Glycine 0 CA--C 1.523 0.553 0 N-CA-C 111.262 -0.735 . . . . 0.0 111.262 173.152 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 148' ' ' PRO . . . . . 0.415 ' O ' ' C ' ' A' ' 149' ' ' ARG . 87.5 Cg_exo -66.43 -21.73 53.18 Favored 'Trans proline' 0 N--CA 1.458 -0.6 0 C-N-CA 121.688 1.592 . . . . 0.0 111.251 -162.803 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 149' ' ' ARG . . . . . 0.415 ' C ' ' O ' ' A' ' 148' ' ' PRO . 72.1 ttt180 -39.41 -51.22 2.11 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.193 -172.197 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 150' ' ' LYS . . . . . 0.4 ' C ' ' O ' ' A' ' 149' ' ' ARG . 58.3 tptt -36.93 110.23 0.11 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.137 178.578 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 151' ' ' GLN . . . . . . . . . . . . . 97.6 mm-40 -94.25 162.44 13.85 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.197 177.899 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 152' ' ' VAL . . . . . . . . . . . . . 13.5 p . . . . . 0 C--O 1.22 -0.481 0 CA-C-O 117.8 -1.095 . . . . 0.0 111.194 176.701 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' B' B ' 64' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.523 0.583 0 N-CA-C 111.296 -0.721 . . . . 0.0 111.296 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' B' B ' 65' ' ' LEU . . . . . . . . . . . . . 95.0 mt -107.43 23.23 14.77 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 120.807 0.337 . . . . 0.0 111.169 -179.943 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 66' ' ' SER . . . . . . . . . . . . . 97.2 p -130.55 -10.61 4.03 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.214 178.886 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 67' ' ' GLU . . . . . . . . . . . . . 97.1 mt-10 -101.4 163.44 12.27 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.149 -175.718 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 68' ' ' MET . . . . . . . . . . . . . 75.0 mtm -106.58 118.74 37.47 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.146 177.897 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 69' ' ' ARG . . . . . . . . . . . . . 79.2 ttt180 -84.16 107.28 16.39 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.178 179.418 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 70' ' ' LEU . . . . . . . . . . . . . 57.6 tp -106.97 97.14 6.95 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.248 175.289 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 71' ' ' GLU . . . . . 0.502 ' O ' ' C ' ' B' ' 72' ' ' LYS . 77.2 mm-40 -73.38 163.51 27.97 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.091 -0.504 . . . . 0.0 111.146 172.08 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 72' ' ' LYS . . . . . 0.502 ' C ' ' O ' ' B' ' 71' ' ' GLU . 88.0 tttt -28.19 -59.64 0.12 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.19 -179.436 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 73' ' ' ASP . . . . . . . . . . . . . 52.3 p-10 -133.61 54.9 1.92 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.266 -0.425 . . . . 0.0 111.136 -179.101 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 74' ' ' ARG . . . . . . . . . . . . . 80.3 ttt180 -161.63 125.74 3.32 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.189 171.847 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 75' ' ' PHE . . . . . . . . . . . . . 80.5 t80 -103.99 117.21 33.75 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.17 -177.741 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 76' ' ' SER . . . . . . . . . . . . . 33.4 t -127.34 141.13 51.78 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.219 -175.513 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 77' ' ' VAL . . . . . . . . . . . . . 87.1 t -112.58 120.77 63.52 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.121 176.021 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 78' ' ' ASN . . . . . . . . . . . . . 87.1 m-20 -90.86 132.53 35.84 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.18 -0.463 . . . . 0.0 111.208 175.547 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 79' ' ' LEU . . . . . 0.404 ' HB2' ' HB3' ' B' ' 143' ' ' LEU . 58.3 mt -134.15 142.55 47.5 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.182 -170.179 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 80' ' ' ASP . . . . . . . . . . . . . 66.6 t0 -89.56 111.78 22.79 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.268 -175.577 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 81' ' ' VAL . . . . . 0.54 HG12 ' O ' ' B' ' 81' ' ' VAL . 54.6 t -119.25 -6.02 11.05 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.291 176.2 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 82' ' ' LYS . . . . . 0.482 ' C ' ' O ' ' B' ' 81' ' ' VAL . 87.6 tttt -27.54 -59.03 0.1 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.148 175.36 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 83' ' ' HIS . . . . . . . . . . . . . 96.6 m-70 -82.72 -31.74 28.33 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.947 0.403 . . . . 0.0 111.279 -175.181 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 84' ' ' PHE . . . . . 0.444 ' HB2' HG13 ' B' ' 81' ' ' VAL . 22.5 m-85 -71.49 151.5 43.87 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.103 -174.95 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 85' ' ' SER . . . . . 0.406 ' O ' ' HG ' ' B' ' 89' ' ' LEU . 69.0 m -99.09 137.68 20.48 Favored Pre-proline 0 C--N 1.331 -0.233 0 CA-C-N 116.121 -0.491 . . . . 0.0 111.262 174.302 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 86' ' ' PRO . . . . . . . . . . . . . 82.1 Cg_exo -53.37 -34.46 71.03 Favored 'Trans proline' 0 N--CA 1.457 -0.652 0 C-N-CA 121.788 1.659 . . . . 0.0 111.063 177.286 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 87' ' ' GLU . . . . . . . . . . . . . 99.2 mt-10 -78.68 -15.53 58.37 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.308 -0.405 . . . . 0.0 111.207 178.664 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 88' ' ' GLU . . . . . . . . . . . . . 48.3 mt-10 -98.99 -13.25 19.99 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.233 177.8 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 89' ' ' LEU . . . . . 0.406 ' HG ' ' O ' ' B' ' 85' ' ' SER . 58.3 mt -72.58 132.48 43.83 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.191 178.165 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 90' ' ' LYS . . . . . . . . . . . . . 98.6 mttt -122.01 45.46 2.33 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.103 -0.499 . . . . 0.0 111.305 170.67 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 91' ' ' VAL . . . . . . . . . . . . . 90.3 t -66.34 120.25 13.11 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.139 -173.464 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 92' ' ' LYS . . . . . . . . . . . . . 97.2 mttt -140.89 172.74 12.26 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.244 -168.965 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 93' ' ' VAL . . . . . . . . . . . . . 33.3 m -123.65 164.97 20.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.278 167.591 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 94' ' ' LEU . . . . . 0.404 ' HB3' ' CG2' ' B' ' 97' ' ' VAL . 27.3 tp -144.45 71.02 1.3 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.181 177.764 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 95' ' ' GLY . . . . . . . . . . . . . . . 82.77 -104.15 2.52 Favored Glycine 0 CA--C 1.523 0.586 0 N-CA-C 111.207 -0.757 . . . . 0.0 111.207 -179.395 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 96' ' ' ASP . . . . . . . . . . . . . 48.7 p-10 -102.78 23.39 12.18 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.776 0.322 . . . . 0.0 111.158 -177.555 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 97' ' ' VAL . . . . . 0.404 ' CG2' ' HB3' ' B' ' 94' ' ' LEU . 27.6 m -134.35 162.84 38.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.333 -0.394 . . . . 0.0 111.187 175.151 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 98' ' ' ILE . . . . . 0.45 ' HB ' ' HB2' ' B' ' 122' ' ' TYR . 62.8 mt -119.55 91.08 1.72 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.131 175.359 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 99' ' ' GLU . . . . . . . . . . . . . 87.3 tt0 -71.86 83.38 0.92 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.103 -179.002 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 100' ' ' VAL . . . . . . . . . . . . . 61.8 t -75.78 80.62 0.6 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.211 179.592 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 101' ' ' HIS . . . . . . . . . . . . . 64.0 t-80 -87.37 141.83 28.34 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.322 178.887 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 102' ' ' GLY . . . . . 0.421 ' O ' ' HB3' ' B' ' 103' ' ' LYS . . . -157.77 -175.04 28.24 Favored Glycine 0 CA--C 1.523 0.583 0 N-CA-C 111.145 -0.782 . . . . 0.0 111.145 -179.423 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 103' ' ' LYS . . . . . 0.421 ' HB3' ' O ' ' B' ' 102' ' ' GLY . 65.4 pttt -177.2 152.23 0.86 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.822 0.344 . . . . 0.0 111.129 169.317 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 104' ' ' HIS . . . . . . . . . . . . . 8.7 p-80 -120.85 153.03 37.67 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.251 161.754 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 105' ' ' GLU . . . . . . . . . . . . . 97.3 mt-10 -133.44 150.83 51.75 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.181 179.781 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 106' ' ' GLU . . . . . . . . . . . . . 81.5 mm-40 45.74 58.21 4.48 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.227 -179.606 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 107' ' ' ARG . . . . . 0.545 ' HB3' HG13 ' B' ' 114' ' ' ILE . 7.7 tpt180 -104.37 82.28 1.91 Allowed 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.182 -171.357 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 108' ' ' GLN . . . . . . . . . . . . . 70.7 tp60 -59.55 123.23 16.2 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.209 -179.968 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 109' ' ' ASP . . . . . . . . . . . . . 44.7 p30 -133.4 -158.2 0.87 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.134 -0.484 . . . . 0.0 111.289 179.05 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 110' ' ' GLU . . . . . . . . . . . . . 99.9 mt-10 -68.96 -23.14 64.1 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.327 -0.397 . . . . 0.0 111.177 -176.931 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 111' ' ' HIS . . . . . . . . . . . . . 71.2 m80 -129.24 68.03 1.42 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.162 -171.217 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 112' ' ' GLY . . . . . . . . . . . . . . . 85.07 -154.31 28.89 Favored Glycine 0 CA--C 1.524 0.649 0 N-CA-C 111.189 -0.765 . . . . 0.0 111.189 -174.755 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 113' ' ' PHE . . . . . . . . . . . . . 3.0 p90 -121.06 150.36 41.3 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 120.863 0.363 . . . . 0.0 111.129 162.156 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 114' ' ' ILE . . . . . 0.545 HG13 ' HB3' ' B' ' 107' ' ' ARG . 37.5 pt -120.05 150.88 22.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.185 -175.323 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 115' ' ' SER . . . . . . . . . . . . . 42.6 t -142.85 107.91 4.95 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.187 174.924 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 116' ' ' ARG . . . . . . . . . . . . . 72.3 mtp180 -130.22 137.92 50.3 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.075 -0.511 . . . . 0.0 111.235 -165.429 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 117' ' ' GLU . . . . . . . . . . . . . 72.9 mm-40 -85.06 161.8 19.57 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.218 168.532 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 118' ' ' PHE . . . . . . . . . . . . . 29.3 t80 -140.06 141.11 36.26 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.229 -0.442 . . . . 0.0 111.211 -178.684 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 119' ' ' HIS . . . . . . . . . . . . . 15.6 t-160 -162.42 61.01 0.22 Allowed 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.197 -172.595 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 120' ' ' ARG . . . . . . . . . . . . . 40.4 ttm180 -89.93 103.61 16.26 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.192 178.884 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 121' ' ' LYS . . . . . 0.404 ' HD3' HG21 ' B' ' 97' ' ' VAL . 41.1 ttmt -96.48 107.02 19.36 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.232 -178.39 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 122' ' ' TYR . . . . . 0.45 ' HB2' ' HB ' ' B' ' 98' ' ' ILE . 37.5 m-85 -76.33 160.78 29.29 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.133 175.827 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 123' ' ' ARG . . . . . . . . . . . . . 11.1 mpt_? -107.06 123.62 48.48 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.133 166.259 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 124' ' ' ILE . . . . . . . . . . . . . 90.8 mt -73.91 125.26 90.42 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-N 116.086 -0.507 . . . . 0.0 111.06 -175.117 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 125' ' ' PRO . . . . . . . . . . . . . 77.9 Cg_exo -52.14 144.25 38.74 Favored 'Trans proline' 0 N--CA 1.458 -0.567 0 C-N-CA 121.778 1.652 . . . . 0.0 111.076 174.893 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 126' ' ' ALA . . . . . . . . . . . . . . . -58.15 -22.85 52.98 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.075 -0.511 . . . . 0.0 111.105 -177.535 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 127' ' ' ASP . . . . . . . . . . . . . 81.1 m-20 -97.58 9.18 43.15 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.292 -0.413 . . . . 0.0 111.223 -176.953 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 128' ' ' VAL . . . . . . . . . . . . . 98.5 t -112.32 122.7 67.06 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.304 170.986 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 129' ' ' ASP . . . . . . . . . . . . . 60.1 t0 -85.26 122.09 73.82 Favored Pre-proline 0 C--N 1.33 -0.275 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.215 176.796 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 130' ' ' PRO . . . . . 0.425 ' HA ' HD12 ' B' ' 133' ' ' ILE . 74.3 Cg_exo -50.3 -34.1 39.27 Favored 'Trans proline' 0 C--N 1.327 -0.573 0 C-N-CA 121.676 1.584 . . . . 0.0 111.147 -178.745 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 131' ' ' LEU . . . . . . . . . . . . . 95.7 mt -73.89 -22.38 59.73 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.249 -175.492 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 132' ' ' THR . . . . . . . . . . . . . 76.8 p -94.16 2.17 55.99 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.175 -177.215 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 133' ' ' ILE . . . . . 0.425 HD12 ' HA ' ' B' ' 130' ' ' PRO . 93.7 mt -85.05 122.45 38.22 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.231 177.974 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 134' ' ' THR . . . . . . . . . . . . . 62.6 p -109.72 168.48 9.38 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.343 -0.39 . . . . 0.0 111.112 175.896 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 135' ' ' SER . . . . . . . . . . . . . 35.2 t -144.6 135.7 25.13 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.191 -176.673 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 136' ' ' SER . . . . . . . . . . . . . 99.6 p -145.07 150.95 37.75 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.242 177.265 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 137' ' ' LEU . . . . . . . . . . . . . 56.7 tp -133.72 129.17 36.35 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.243 -172.889 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 138' ' ' SER . . . . . . . . . . . . . 59.0 p -88.23 166.55 14.27 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.266 177.949 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 139' ' ' SER . . . . . . . . . . . . . 89.0 p -73.78 -13.38 60.94 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.264 -0.426 . . . . 0.0 111.197 177.273 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 140' ' ' ASP . . . . . . . . . . . . . 92.7 m-20 -84.71 -8.58 58.8 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.295 177.822 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 141' ' ' GLY . . . . . . . . . . . . . . . 90.04 31.02 11.4 Favored Glycine 0 CA--C 1.523 0.569 0 N-CA-C 111.227 -0.749 . . . . 0.0 111.227 -179.858 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 142' ' ' VAL . . . . . . . . . . . . . 66.6 t -99.51 104.9 16.66 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-O 120.812 0.339 . . . . 0.0 111.175 174.537 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 143' ' ' LEU . . . . . 0.404 ' HB3' ' HB2' ' B' ' 79' ' ' LEU . 56.3 tp -102.6 126.67 49.76 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.197 -177.731 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 144' ' ' THR . . . . . . . . . . . . . 93.0 m -122.94 117.33 25.28 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.295 -176.721 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 145' ' ' VAL . . . . . . . . . . . . . 57.8 t -121.0 113.4 39.6 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.24 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.168 177.735 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 146' ' ' ASP . . . . . . . . . . . . . 9.9 p-10 -142.63 134.96 27.63 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.178 -159.419 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 147' ' ' GLY . . . . . . . . . . . . . . . -123.94 105.14 0.87 Allowed Glycine 0 CA--C 1.523 0.532 0 N-CA-C 111.253 -0.739 . . . . 0.0 111.253 173.106 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 148' ' ' PRO . . . . . 0.405 ' O ' ' C ' ' B' ' 149' ' ' ARG . 88.1 Cg_exo -66.52 -21.67 52.63 Favored 'Trans proline' 0 N--CA 1.458 -0.615 0 C-N-CA 121.76 1.64 . . . . 0.0 111.227 -162.784 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 149' ' ' ARG . . . . . 0.405 ' C ' ' O ' ' B' ' 148' ' ' PRO . 72.2 ttt180 -39.46 -51.31 2.15 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.175 -172.215 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 150' ' ' LYS . . . . . . . . . . . . . 58.3 tptt -36.88 110.27 0.11 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.109 178.61 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 151' ' ' GLN . . . . . . . . . . . . . 97.7 mm-40 -94.29 162.44 13.84 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.162 177.932 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 152' ' ' VAL . . . . . . . . . . . . . 13.7 p . . . . . 0 C--O 1.22 -0.467 0 CA-C-O 118.034 -0.984 . . . . 0.0 111.173 176.658 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.522 0.496 0 N-CA-C 111.217 -0.753 . . . . 0.0 111.217 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 91.9 mt -90.19 151.44 21.56 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.702 0.287 . . . . 0.0 111.233 -179.427 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 89.3 p -82.35 -11.66 58.45 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.264 -0.425 . . . . 0.0 111.285 176.961 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 88.4 tt0 -60.36 129.78 43.37 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.197 179.393 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 68' ' ' MET . . . . . . . . . . . . . 1.9 pmm? -82.81 157.8 23.03 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.084 -0.507 . . . . 0.0 111.214 176.08 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 60.0 ttp180 -127.68 139.79 52.49 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.145 -178.208 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 55.8 mt -99.93 100.78 11.74 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.095 169.717 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 71' ' ' GLU . . . . . 0.548 ' O ' ' C ' ' A' ' 72' ' ' LYS . 95.8 mt-10 -68.38 -176.3 0.74 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.115 174.367 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 72' ' ' LYS . . . . . 0.548 ' C ' ' O ' ' A' ' 71' ' ' GLU . 88.0 tttt -27.15 -60.17 0.09 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.065 -168.516 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 58.7 p30 -142.54 26.78 1.74 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.159 -172.683 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 15.6 ptm180 -146.15 171.29 15.13 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.201 -172.01 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 75' ' ' PHE . . . . . . . . . . . . . 10.5 p90 -119.99 146.96 45.36 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.093 -0.503 . . . . 0.0 111.311 -179.054 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 36.2 t -139.37 121.3 15.57 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.138 179.819 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 96.9 t -99.47 110.62 27.07 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.372 0 CA-C-N 116.309 -0.405 . . . . 0.0 111.129 -174.36 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 77.0 m-20 -92.59 104.94 17.19 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.183 -179.732 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 86.3 mt -97.04 133.51 41.61 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.188 -173.531 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 67.4 t0 -83.55 104.47 13.7 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.235 174.54 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 34.6 m -131.72 3.77 1.81 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.411 0 CA-C-N 116.291 -0.413 . . . . 0.0 111.171 -171.746 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 88.4 tttt -47.32 -48.84 25.08 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.357 -0.383 . . . . 0.0 111.251 177.351 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 20.7 p-80 -77.29 -20.53 54.9 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.174 -174.667 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 84' ' ' PHE . . . . . . . . . . . . . 20.3 m-30 -72.26 145.25 48.04 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.215 178.481 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 85' ' ' SER . . . . . 0.446 ' O ' ' N ' ' A' ' 89' ' ' LEU . 72.3 m -100.29 148.82 35.43 Favored Pre-proline 0 C--N 1.328 -0.336 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.212 175.532 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 71.8 Cg_exo -54.19 -33.21 73.91 Favored 'Trans proline' 0 N--CA 1.458 -0.594 0 C-N-CA 121.674 1.583 . . . . 0.0 111.206 177.429 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 99.1 mt-10 -80.28 -18.17 50.07 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.294 -0.412 . . . . 0.0 111.203 -179.885 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 60.4 mt-10 -104.87 -13.61 15.77 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.248 178.978 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 89' ' ' LEU . . . . . 0.446 ' N ' ' O ' ' A' ' 85' ' ' SER . 58.6 tp -102.85 112.72 25.66 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.228 -169.196 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 98.3 mttt -119.53 81.47 1.73 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.214 178.648 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 86.1 t -90.75 127.57 43.12 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-N 116.311 -0.404 . . . . 0.0 111.069 177.374 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 87.7 tttt -149.67 128.77 12.72 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.168 -171.862 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 74.5 t -72.65 97.47 0.76 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.191 171.864 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 94' ' ' LEU . . . . . 0.473 ' HB3' HG23 ' A' ' 97' ' ' VAL . 59.8 tp -97.34 78.42 2.71 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.083 -0.508 . . . . 0.0 111.238 -162.014 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 70.3 -106.66 1.9 Allowed Glycine 0 CA--C 1.523 0.533 0 N-CA-C 111.282 -0.727 . . . . 0.0 111.282 175.483 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 49.6 p-10 -95.93 2.53 53.61 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.771 0.32 . . . . 0.0 111.196 -177.78 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 97' ' ' VAL . . . . . 0.516 ' HA ' ' HA ' ' A' ' 123' ' ' ARG . 31.9 m -128.7 175.12 10.89 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.079 -0.509 . . . . 0.0 111.203 172.479 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 98' ' ' ILE . . . . . 0.415 ' HB ' ' HB3' ' A' ' 122' ' ' TYR . 72.0 mt -116.97 92.22 2.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.118 174.579 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 83.0 tt0 -62.51 130.66 46.14 Favored 'General case' 0 C--N 1.328 -0.37 0 CA-C-N 116.294 -0.412 . . . . 0.0 111.216 -176.799 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 100' ' ' VAL . . . . . 0.491 ' HB ' ' HB2' ' A' ' 120' ' ' ARG . 28.7 t -119.43 91.77 1.93 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.258 166.563 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 101' ' ' HIS . . . . . . . . . . . . . 57.8 t-80 -103.05 64.75 0.85 Allowed 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.209 -171.842 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 102' ' ' GLY . . . . . 0.401 ' HA2' ' HA ' ' A' ' 89' ' ' LEU . . . -95.14 176.38 34.32 Favored Glycine 0 CA--C 1.523 0.533 0 N-CA-C 111.282 -0.727 . . . . 0.0 111.282 -175.436 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 103' ' ' LYS . . . . . 0.444 ' HB3' ' HA ' ' A' ' 117' ' ' GLU . 64.8 pttt -174.71 155.07 2.09 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.797 0.332 . . . . 0.0 111.124 169.241 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 104' ' ' HIS . . . . . 0.469 ' ND1' ' C ' ' A' ' 104' ' ' HIS . 0.3 OUTLIER -134.36 102.46 5.35 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.074 -0.512 . . . . 0.0 111.187 168.236 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 105' ' ' GLU . . . . . 0.417 ' O ' ' HB2' ' A' ' 106' ' ' GLU . 88.6 tt0 -81.45 144.44 31.38 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.184 179.581 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 106' ' ' GLU . . . . . 0.426 ' HA ' ' CD2' ' A' ' 113' ' ' PHE . 94.2 mt-10 63.27 52.96 2.31 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.18 -173.531 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 107' ' ' ARG . . . . . 0.457 ' HB3' HG13 ' A' ' 114' ' ' ILE . 60.3 ttt-85 -108.64 92.07 3.9 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.296 -0.411 . . . . 0.0 111.195 -174.17 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 108' ' ' GLN . . . . . . . . . . . . . 66.4 tt0 -58.39 120.33 8.57 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.237 177.656 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 53.1 p30 -160.36 -149.79 0.2 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.178 -173.089 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 88.5 tt0 -45.5 -67.36 0.29 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.176 -176.026 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 111' ' ' HIS . . . . . . . . . . . . . 98.0 m-70 -96.76 78.19 2.88 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.203 -175.006 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 112' ' ' GLY . . . . . 0.424 ' HA3' ' HA ' ' B' ' 122' ' ' TYR . . . 69.63 -111.85 4.11 Favored Glycine 0 CA--C 1.524 0.598 0 N-CA-C 111.218 -0.753 . . . . 0.0 111.218 -179.616 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 113' ' ' PHE . . . . . 0.426 ' CD2' ' HA ' ' A' ' 106' ' ' GLU . 46.7 p90 -138.3 153.92 49.02 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.814 0.34 . . . . 0.0 111.154 162.005 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 114' ' ' ILE . . . . . 0.656 ' C ' HD12 ' A' ' 114' ' ' ILE . 2.3 pp -120.69 164.85 16.77 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.16 -167.59 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 46.9 t -138.73 99.19 3.74 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.292 161.858 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 116' ' ' ARG . . . . . . . . . . . . . 89.1 mtm180 -112.83 111.47 22.26 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.238 -167.591 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 117' ' ' GLU . . . . . 0.454 ' HB3' ' HB3' ' B' ' 117' ' ' GLU . 86.3 tt0 -85.57 104.53 15.41 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.344 -0.389 . . . . 0.0 111.189 176.627 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 118' ' ' PHE . . . . . . . . . . . . . 74.4 m-85 -84.18 163.26 19.85 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.214 -173.86 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 119' ' ' HIS . . . . . . . . . . . . . 9.4 t-160 -163.6 62.45 0.17 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.067 178.902 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 120' ' ' ARG . . . . . 0.491 ' HB2' ' HB ' ' A' ' 100' ' ' VAL . 79.8 mtt-85 -84.53 103.2 13.46 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.222 -172.621 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 121' ' ' LYS . . . . . . . . . . . . . 97.2 mttt -85.6 85.6 7.41 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.221 175.393 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 122' ' ' TYR . . . . . 0.443 ' CD1' ' C ' ' A' ' 122' ' ' TYR . 4.7 t80 -81.39 109.86 16.28 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.296 -0.411 . . . . 0.0 111.186 179.382 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 123' ' ' ARG . . . . . 0.516 ' HA ' ' HA ' ' A' ' 97' ' ' VAL . 7.4 ttp180 -77.44 139.76 39.72 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.284 -159.998 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 124' ' ' ILE . . . . . . . . . . . . . 72.4 mt -89.49 133.59 34.28 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.294 -172.626 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 125' ' ' PRO . . . . . . . . . . . . . 75.1 Cg_exo -50.49 147.0 17.99 Favored 'Trans proline' 0 N--CA 1.458 -0.615 0 C-N-CA 121.661 1.574 . . . . 0.0 111.182 173.37 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . -61.99 -14.89 39.68 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.178 -177.104 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 127' ' ' ASP . . . . . . . . . . . . . 78.8 m-20 -99.68 -17.31 17.83 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.194 -175.421 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 128' ' ' VAL . . . . . . . . . . . . . 83.3 t -94.98 140.13 17.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.155 -178.826 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 85.6 m-20 -109.82 154.49 42.52 Favored Pre-proline 0 C--N 1.328 -0.327 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.204 179.084 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 130' ' ' PRO . . . . . . . . . . . . . 82.1 Cg_exo -53.19 -31.92 57.6 Favored 'Trans proline' 0 N--CA 1.458 -0.575 0 C-N-CA 121.739 1.626 . . . . 0.0 111.235 -179.882 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 131' ' ' LEU . . . . . . . . . . . . . 95.8 mt -81.76 -31.79 31.78 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.166 -174.777 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 132' ' ' THR . . . . . . . . . . . . . 82.2 p -72.47 -23.46 61.05 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.202 178.832 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 133' ' ' ILE . . . . . . . . . . . . . 93.6 mt -73.81 127.68 35.81 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.383 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.292 177.008 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 134' ' ' THR . . . . . . . . . . . . . 98.2 m -112.18 132.68 54.75 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.177 -178.804 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 135' ' ' SER . . . . . . . . . . . . . 30.2 t -111.72 130.41 55.79 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.219 -179.976 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 136' ' ' SER . . . . . . . . . . . . . 42.6 t -141.75 127.05 18.66 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.243 -177.764 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 137' ' ' LEU . . . . . . . . . . . . . 63.6 tp -98.99 128.68 45.18 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.287 -0.415 . . . . 0.0 111.167 -175.93 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 138' ' ' SER . . . . . . . . . . . . . 59.7 p -86.57 166.07 15.71 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.173 177.405 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 139' ' ' SER . . . . . . . . . . . . . 88.7 p -76.8 -11.22 59.8 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.23 178.74 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 140' ' ' ASP . . . . . . . . . . . . . 89.2 m-20 -90.04 -1.86 58.03 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.067 -0.515 . . . . 0.0 111.125 178.995 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 141' ' ' GLY . . . . . . . . . . . . . . . 83.78 35.8 15.26 Favored Glycine 0 CA--C 1.524 0.624 0 N-CA-C 111.275 -0.73 . . . . 0.0 111.275 179.507 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 142' ' ' VAL . . . . . . . . . . . . . 62.0 t -115.53 108.15 24.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-O 120.851 0.358 . . . . 0.0 111.129 174.252 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 143' ' ' LEU . . . . . . . . . . . . . 62.1 tp -91.48 110.15 21.46 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.204 -177.74 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 144' ' ' THR . . . . . . . . . . . . . 97.1 m -96.54 115.41 27.38 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.229 -174.579 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 145' ' ' VAL . . . . . . . . . . . . . 60.3 t -120.26 113.38 40.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.153 -179.319 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 146' ' ' ASP . . . . . 0.708 ' OD1' ' O ' ' A' ' 146' ' ' ASP . 32.4 p30 -141.43 130.12 22.83 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.166 -159.045 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 147' ' ' GLY . . . . . . . . . . . . . . . -114.06 158.05 14.56 Favored Glycine 0 CA--C 1.522 0.518 0 N-CA-C 111.189 -0.764 . . . . 0.0 111.189 174.437 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 148' ' ' PRO . . . . . . . . . . . . . 56.8 Cg_endo -85.21 -45.61 0.05 OUTLIER 'Trans proline' 0 N--CA 1.458 -0.605 0 C-N-CA 121.748 1.632 . . . . 0.0 111.279 -162.948 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 149' ' ' ARG . . . . . . . . . . . . . 84.3 mtp180 -92.07 67.37 5.08 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.229 -163.622 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 150' ' ' LYS . . . . . . . . . . . . . 60.7 tptt -89.54 -54.74 3.94 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.214 176.489 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 151' ' ' GLN . . . . . . . . . . . . . 99.4 mm-40 -97.91 -24.19 15.5 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.237 176.669 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 152' ' ' VAL . . . . . . . . . . . . . 71.1 t . . . . . 0 C--O 1.219 -0.521 0 CA-C-O 117.597 -1.192 . . . . 0.0 111.096 174.979 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' B' B ' 64' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.523 0.567 0 N-CA-C 111.221 -0.752 . . . . 0.0 111.221 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' B' B ' 65' ' ' LEU . . . . . . . . . . . . . 92.2 mt -90.21 151.48 21.53 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.735 0.302 . . . . 0.0 111.19 -179.439 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 66' ' ' SER . . . . . . . . . . . . . 90.0 p -82.49 -11.53 58.42 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.218 176.942 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 67' ' ' GLU . . . . . . . . . . . . . 88.4 tt0 -60.42 129.67 42.79 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.164 179.434 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 68' ' ' MET . . . . . . . . . . . . . 1.9 pmm? -82.61 157.87 23.26 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.305 175.943 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 69' ' ' ARG . . . . . . . . . . . . . 60.0 ttp180 -127.74 139.81 52.45 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.096 -178.162 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 70' ' ' LEU . . . . . . . . . . . . . 55.5 mt -99.95 100.64 11.56 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.14 169.664 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 71' ' ' GLU . . . . . 0.56 ' O ' ' C ' ' B' ' 72' ' ' LYS . 95.7 mt-10 -68.11 -176.25 0.69 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.202 174.28 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 72' ' ' LYS . . . . . 0.56 ' C ' ' O ' ' B' ' 71' ' ' GLU . 88.0 tttt -27.29 -60.24 0.1 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.067 -168.446 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 73' ' ' ASP . . . . . . . . . . . . . 58.8 p30 -142.34 26.74 1.78 Allowed 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.173 -172.626 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 74' ' ' ARG . . . . . . . . . . . . . 15.6 ptm180 -146.3 171.29 15.21 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.234 -171.909 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 75' ' ' PHE . . . . . . . . . . . . . 10.6 p90 -120.07 146.92 45.46 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.214 -178.935 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 76' ' ' SER . . . . . . . . . . . . . 36.0 t -139.34 121.45 15.75 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.16 179.685 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 77' ' ' VAL . . . . . . . . . . . . . 94.4 t -99.59 110.72 27.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.156 -174.394 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 78' ' ' ASN . . . . . . . . . . . . . 77.1 m-20 -92.64 104.86 17.11 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.089 -0.505 . . . . 0.0 111.277 -179.771 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 79' ' ' LEU . . . . . . . . . . . . . 85.7 mt -96.91 133.65 41.27 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.224 -173.568 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 80' ' ' ASP . . . . . . . . . . . . . 67.4 t0 -83.65 104.65 13.94 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.185 174.558 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 81' ' ' VAL . . . . . . . . . . . . . 34.6 m -131.84 3.83 1.78 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.399 0 CA-C-N 116.307 -0.406 . . . . 0.0 111.235 -171.765 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 82' ' ' LYS . . . . . . . . . . . . . 88.3 tttt -47.37 -48.87 25.6 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.203 177.389 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 83' ' ' HIS . . . . . . . . . . . . . 20.8 p-80 -77.23 -20.54 55.11 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.2 -174.618 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 84' ' ' PHE . . . . . . . . . . . . . 20.3 m-30 -72.25 145.33 48.0 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.17 178.539 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 85' ' ' SER . . . . . 0.444 ' O ' ' N ' ' B' ' 89' ' ' LEU . 72.2 m -100.32 148.92 35.57 Favored Pre-proline 0 C--N 1.328 -0.342 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.207 175.422 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 86' ' ' PRO . . . . . 0.421 ' HD3' ' HA ' ' B' ' 85' ' ' SER . 71.9 Cg_exo -54.16 -33.3 73.91 Favored 'Trans proline' 0 N--CA 1.458 -0.587 0 C-N-CA 121.715 1.61 . . . . 0.0 111.215 177.415 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 87' ' ' GLU . . . . . . . . . . . . . 99.2 mt-10 -80.28 -18.09 50.3 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.249 -179.854 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 88' ' ' GLU . . . . . . . . . . . . . 60.3 mt-10 -104.92 -13.55 15.76 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.236 178.936 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 89' ' ' LEU . . . . . 0.444 ' N ' ' O ' ' B' ' 85' ' ' SER . 58.7 tp -102.82 112.79 25.75 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.258 -169.227 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 90' ' ' LYS . . . . . . . . . . . . . 98.4 mttt -119.67 81.42 1.72 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.139 178.724 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 91' ' ' VAL . . . . . . . . . . . . . 86.9 t -90.58 127.46 43.05 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.385 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.201 177.314 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 92' ' ' LYS . . . . . 0.401 ' O ' ' N ' ' B' ' 99' ' ' GLU . 87.8 tttt -149.67 128.65 12.64 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.214 -171.78 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 93' ' ' VAL . . . . . . . . . . . . . 73.2 t -72.53 97.49 0.75 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.258 171.862 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 94' ' ' LEU . . . . . 0.469 ' HB3' HG23 ' B' ' 97' ' ' VAL . 60.0 tp -97.44 78.42 2.68 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.202 -161.911 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 95' ' ' GLY . . . . . . . . . . . . . . . 70.22 -106.65 1.9 Allowed Glycine 0 CA--C 1.523 0.533 0 N-CA-C 111.294 -0.722 . . . . 0.0 111.294 175.575 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 96' ' ' ASP . . . . . . . . . . . . . 49.8 p-10 -95.81 2.39 53.76 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-O 120.789 0.328 . . . . 0.0 111.206 -177.765 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 97' ' ' VAL . . . . . 0.52 ' HA ' ' HA ' ' B' ' 123' ' ' ARG . 32.9 m -128.7 175.2 10.71 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.27 172.395 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 98' ' ' ILE . . . . . 0.41 ' HB ' ' HB3' ' B' ' 122' ' ' TYR . 72.0 mt -117.03 92.11 2.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.19 174.591 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 99' ' ' GLU . . . . . 0.401 ' N ' ' O ' ' B' ' 92' ' ' LYS . 82.5 tt0 -62.42 130.67 46.28 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.197 -176.73 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 100' ' ' VAL . . . . . 0.515 ' HB ' ' HB2' ' B' ' 120' ' ' ARG . 30.5 t -119.48 91.81 1.95 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.179 166.608 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 101' ' ' HIS . . . . . . . . . . . . . 57.8 t-80 -102.98 64.72 0.86 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.246 -171.933 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 102' ' ' GLY . . . . . . . . . . . . . . . -95.1 176.43 34.41 Favored Glycine 0 CA--C 1.522 0.529 0 N-CA-C 111.215 -0.754 . . . . 0.0 111.215 -175.433 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 103' ' ' LYS . . . . . 0.448 ' HB3' ' HA ' ' B' ' 117' ' ' GLU . 64.8 pttt -174.76 154.94 2.04 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.769 0.319 . . . . 0.0 111.263 169.278 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 104' ' ' HIS . . . . . 0.475 ' ND1' ' C ' ' B' ' 104' ' ' HIS . 0.3 OUTLIER -134.3 102.62 5.42 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.162 168.139 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' B' B ' 105' ' ' GLU . . . . . 0.408 ' HG2' ' HG3' ' B' ' 106' ' ' GLU . 88.6 tt0 -81.4 144.47 31.4 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.195 179.5 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 106' ' ' GLU . . . . . 0.428 ' HA ' ' CD2' ' B' ' 113' ' ' PHE . 94.3 mt-10 63.05 53.18 2.38 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.217 -173.494 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 107' ' ' ARG . . . . . 0.445 ' HB3' HG13 ' B' ' 114' ' ' ILE . 60.3 ttt-85 -108.72 92.15 3.94 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.194 -174.176 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 108' ' ' GLN . . . . . . . . . . . . . 66.4 tt0 -58.51 120.33 8.63 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.136 177.762 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 109' ' ' ASP . . . . . . . . . . . . . 53.1 p30 -160.32 -149.7 0.2 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.221 -173.05 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 110' ' ' GLU . . . . . . . . . . . . . 88.5 tt0 -45.54 -67.43 0.28 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.137 -176.068 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 111' ' ' HIS . . . . . . . . . . . . . 97.9 m-70 -96.83 78.04 2.85 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.215 -174.884 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 112' ' ' GLY . . . . . 0.408 ' HA3' ' HA ' ' A' ' 122' ' ' TYR . . . 69.73 -111.8 4.07 Favored Glycine 0 CA--C 1.522 0.525 0 N-CA-C 111.14 -0.784 . . . . 0.0 111.14 -179.615 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 113' ' ' PHE . . . . . 0.428 ' CD2' ' HA ' ' B' ' 106' ' ' GLU . 46.5 p90 -138.16 153.89 49.18 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 120.798 0.332 . . . . 0.0 111.202 162.058 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 114' ' ' ILE . . . . . 0.645 HD12 ' C ' ' B' ' 114' ' ' ILE . 2.3 pp -120.8 164.87 16.87 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.203 -167.762 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 115' ' ' SER . . . . . . . . . . . . . 46.9 t -138.66 99.25 3.76 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.182 162.013 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 116' ' ' ARG . . . . . . . . . . . . . 89.1 mtm180 -112.96 111.51 22.31 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.16 -167.636 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 117' ' ' GLU . . . . . 0.454 ' HB3' ' HB3' ' A' ' 117' ' ' GLU . 86.3 tt0 -85.66 104.65 15.59 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.078 176.727 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 118' ' ' PHE . . . . . . . . . . . . . 74.6 m-85 -84.12 163.19 19.96 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.178 -173.814 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 119' ' ' HIS . . . . . . . . . . . . . 9.4 t-160 -163.64 62.34 0.17 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.169 178.741 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 120' ' ' ARG . . . . . 0.515 ' HB2' ' HB ' ' B' ' 100' ' ' VAL . 79.7 mtt-85 -84.29 103.13 13.22 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.22 -172.591 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 121' ' ' LYS . . . . . . . . . . . . . 97.3 mttt -85.61 85.48 7.41 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.238 175.39 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 122' ' ' TYR . . . . . 0.444 ' CD1' ' C ' ' B' ' 122' ' ' TYR . 4.7 t80 -81.19 109.96 16.23 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.156 179.356 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 123' ' ' ARG . . . . . 0.52 ' HA ' ' HA ' ' B' ' 97' ' ' VAL . 7.3 ttp180 -77.66 139.87 39.51 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.197 -159.982 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 124' ' ' ILE . . . . . . . . . . . . . 72.4 mt -89.56 133.55 34.26 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.219 -172.599 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 125' ' ' PRO . . . . . . . . . . . . . 77.5 Cg_exo -50.41 146.88 17.89 Favored 'Trans proline' 0 N--CA 1.459 -0.516 0 C-N-CA 121.615 1.543 . . . . 0.0 111.252 173.305 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 126' ' ' ALA . . . . . . . . . . . . . . . -61.94 -14.8 38.18 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.226 -177.154 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 127' ' ' ASP . . . . . . . . . . . . . 78.7 m-20 -99.65 -17.41 17.8 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.167 -175.446 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 128' ' ' VAL . . . . . . . . . . . . . 83.8 t -94.83 139.99 17.6 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.208 -178.768 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 129' ' ' ASP . . . . . . . . . . . . . 85.9 m-20 -109.86 154.56 42.52 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.169 179.063 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 130' ' ' PRO . . . . . . . . . . . . . 82.9 Cg_exo -53.19 -31.95 57.79 Favored 'Trans proline' 0 N--CA 1.458 -0.566 0 C-N-CA 121.699 1.599 . . . . 0.0 111.244 -179.89 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 131' ' ' LEU . . . . . . . . . . . . . 95.8 mt -81.84 -31.64 31.56 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.153 -174.712 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 132' ' ' THR . . . . . . . . . . . . . 82.0 p -72.45 -23.55 61.07 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.219 178.735 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 133' ' ' ILE . . . . . . . . . . . . . 93.9 mt -73.81 127.75 35.85 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.383 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.107 177.161 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 134' ' ' THR . . . . . . . . . . . . . 97.9 m -112.22 132.58 54.84 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.16 -178.78 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 135' ' ' SER . . . . . . . . . . . . . 30.1 t -111.63 130.52 55.73 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.317 -0.401 . . . . 0.0 111.25 179.947 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 136' ' ' SER . . . . . . . . . . . . . 42.6 t -141.84 127.0 18.5 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.188 -177.765 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 137' ' ' LEU . . . . . . . . . . . . . 63.3 tp -98.9 128.69 45.15 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.211 -176.026 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 138' ' ' SER . . . . . . . . . . . . . 59.6 p -86.65 166.11 15.61 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.214 177.405 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 139' ' ' SER . . . . . . . . . . . . . 87.8 p -76.77 -11.26 59.81 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.252 178.757 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 140' ' ' ASP . . . . . . . . . . . . . 89.3 m-20 -89.89 -1.84 58.06 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.05 -0.523 . . . . 0.0 111.222 178.905 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 141' ' ' GLY . . . . . . . . . . . . . . . 83.69 35.87 15.33 Favored Glycine 0 CA--C 1.523 0.534 0 N-CA-C 111.243 -0.743 . . . . 0.0 111.243 179.498 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 142' ' ' VAL . . . . . . . . . . . . . 60.5 t -115.6 108.15 24.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-O 120.867 0.365 . . . . 0.0 111.24 174.173 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 143' ' ' LEU . . . . . . . . . . . . . 62.3 tp -91.51 110.25 21.56 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.167 -177.661 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 144' ' ' THR . . . . . . . . . . . . . 97.6 m -96.48 115.43 27.41 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.162 -174.606 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 145' ' ' VAL . . . . . . . . . . . . . 60.3 t -120.28 113.32 39.98 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.121 -0.491 . . . . 0.0 111.255 -179.456 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 146' ' ' ASP . . . . . 0.716 ' OD1' ' O ' ' B' ' 146' ' ' ASP . 32.5 p30 -141.39 130.12 22.88 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.195 -159.008 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 147' ' ' GLY . . . . . . . . . . . . . . . -114.05 158.21 14.46 Favored Glycine 0 CA--C 1.522 0.526 0 N-CA-C 111.2 -0.76 . . . . 0.0 111.2 174.457 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 148' ' ' PRO . . . . . . . . . . . . . 56.4 Cg_endo -85.41 -45.62 0.05 OUTLIER 'Trans proline' 0 N--CA 1.457 -0.633 0 C-N-CA 121.8 1.667 . . . . 0.0 111.165 -162.79 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 149' ' ' ARG . . . . . . . . . . . . . 84.4 mtp180 -92.05 67.3 5.09 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.275 -0.421 . . . . 0.0 111.177 -163.527 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 150' ' ' LYS . . . . . . . . . . . . . 60.7 tptt -89.69 -54.7 3.95 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.295 -0.411 . . . . 0.0 111.109 176.613 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 151' ' ' GLN . . . . . . . . . . . . . 99.4 mm-40 -97.87 -24.25 15.5 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.219 176.706 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 152' ' ' VAL . . . . . . . . . . . . . 73.2 t . . . . . 0 C--O 1.219 -0.528 0 CA-C-O 118.327 -0.844 . . . . 0.0 111.254 174.873 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.523 0.58 0 N-CA-C 111.212 -0.755 . . . . 0.0 111.212 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . 0.462 ' HA ' ' HA ' ' A' ' 79' ' ' LEU . 7.1 mp -102.27 98.14 8.32 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.788 0.328 . . . . 0.0 111.221 -179.764 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 85.4 p -94.7 164.7 12.84 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.208 -175.543 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 24.4 pm0 -84.59 173.74 10.55 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.179 178.184 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 68' ' ' MET . . . . . . . . . . . . . 63.6 mtm -70.36 149.57 47.2 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.169 -0.468 . . . . 0.0 111.119 -178.164 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 79.7 ttt180 -125.01 97.18 5.15 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.186 -177.942 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . 0.502 HD23 ' C ' ' A' ' 70' ' ' LEU . 8.6 tt -96.77 106.07 18.31 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.194 175.938 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 71' ' ' GLU . . . . . 0.498 ' O ' ' C ' ' A' ' 72' ' ' LYS . 78.2 mm-40 -97.34 -177.25 3.77 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.245 176.769 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 72' ' ' LYS . . . . . 0.498 ' C ' ' O ' ' A' ' 71' ' ' GLU . 88.0 tttt -29.11 -57.35 0.14 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.21 -179.161 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 52.6 p-10 -137.92 42.2 2.28 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.168 -177.662 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 90.7 mmt-85 -137.21 171.19 14.87 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.305 -178.165 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 75' ' ' PHE . . . . . 0.538 ' O ' ' CD2' ' A' ' 75' ' ' PHE . 47.7 t80 -172.5 84.58 0.06 Allowed 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.189 174.886 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 82.5 p -112.53 172.88 6.65 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.198 -175.986 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 5.3 p -151.99 148.39 14.51 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.261 168.802 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 57.6 t-20 -137.32 107.96 6.58 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.284 -0.416 . . . . 0.0 111.182 -178.249 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 79' ' ' LEU . . . . . 0.462 ' HA ' ' HA ' ' A' ' 65' ' ' LEU . 1.1 pt? -131.44 152.93 50.25 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.101 -178.801 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 65.5 t0 -99.54 119.37 37.93 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.195 -170.028 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 17.6 m -131.63 43.77 0.6 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.127 174.336 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 64.1 pttt -70.11 -18.88 63.26 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.134 -178.023 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 96.4 m-70 -83.82 -7.23 59.5 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.283 178.111 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 84' ' ' PHE . . . . . . . . . . . . . 36.2 m-85 -106.24 170.8 7.71 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.22 -176.145 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 75.6 m -124.66 153.0 69.98 Favored Pre-proline 0 C--N 1.328 -0.327 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.126 -178.05 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 74.3 Cg_exo -54.86 -26.76 49.9 Favored 'Trans proline' 0 N--CA 1.459 -0.541 0 C-N-CA 121.637 1.558 . . . . 0.0 111.209 177.365 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 99.0 mt-10 -87.24 -25.15 24.13 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.141 -0.482 . . . . 0.0 111.261 176.961 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 98.5 mt-10 -95.69 -7.43 37.43 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.24 -178.023 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 2.0 pp -136.33 147.68 47.53 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.202 177.918 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 83.7 tttt -152.98 119.22 5.51 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.239 176.439 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 97.5 t -73.04 117.39 16.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.239 175.682 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 92' ' ' LYS . . . . . 0.406 ' HB2' ' HG3' ' A' ' 99' ' ' GLU . 99.1 mttt -123.69 174.69 7.31 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.339 -0.392 . . . . 0.0 111.207 179.381 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 33.7 m -129.19 161.21 39.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.069 172.898 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 22.1 tp -147.48 69.24 1.14 Allowed 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.182 173.989 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 82.55 -104.29 2.5 Favored Glycine 0 CA--C 1.523 0.578 0 N-CA-C 111.184 -0.766 . . . . 0.0 111.184 -177.669 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 85.1 m-20 -96.56 11.71 34.22 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.842 0.353 . . . . 0.0 111.13 -174.007 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 97' ' ' VAL . . . . . 0.4 ' HB ' ' HB3' ' A' ' 121' ' ' LYS . 28.0 m -126.83 161.27 33.86 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.233 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.173 178.683 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 98' ' ' ILE . . . . . 0.479 ' HB ' ' HB2' ' A' ' 122' ' ' TYR . 59.1 mt -119.02 68.51 0.29 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.234 173.78 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 99' ' ' GLU . . . . . 0.669 ' O ' ' HG3' ' A' ' 99' ' ' GLU . 21.7 pt-20 -54.95 100.95 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.11 -174.437 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 100' ' ' VAL . . . . . . . . . . . . . 73.9 t -78.23 94.72 1.59 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.067 174.519 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 101' ' ' HIS . . . . . 0.461 ' HA ' ' HA ' ' A' ' 119' ' ' HIS . 9.3 t-160 -78.46 84.65 4.59 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.163 -0.472 . . . . 0.0 111.198 -173.485 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . -105.05 155.26 17.14 Favored Glycine 0 CA--C 1.523 0.57 0 N-CA-C 111.152 -0.779 . . . . 0.0 111.152 -179.114 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 103' ' ' LYS . . . . . 0.405 ' HA ' ' O ' ' A' ' 116' ' ' ARG . 64.6 pttt -166.99 127.65 1.56 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.908 0.385 . . . . 0.0 111.138 173.312 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 104' ' ' HIS . . . . . . . . . . . . . 23.0 t-160 -113.13 103.41 11.33 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.17 174.386 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 90.9 mt-10 -91.59 154.99 18.68 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.141 -0.482 . . . . 0.0 111.165 -176.637 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 94.7 mt-10 60.34 53.84 4.16 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.195 177.706 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 107' ' ' ARG . . . . . 0.454 ' HB3' HG13 ' A' ' 114' ' ' ILE . 49.5 ttt85 -106.65 108.49 20.03 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.194 -169.886 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 108' ' ' GLN . . . . . . . . . . . . . 69.5 tp60 -69.76 124.98 25.37 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.17 176.269 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 58.0 p-10 -146.31 -167.55 2.77 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.086 -0.506 . . . . 0.0 111.126 177.486 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 24.9 pm0 -66.3 -20.15 66.02 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.289 -0.414 . . . . 0.0 111.129 -177.008 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 111' ' ' HIS . . . . . 0.432 ' O ' ' HA ' ' B' ' 122' ' ' TYR . 56.4 m-70 -83.62 -42.52 16.62 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.334 -0.394 . . . . 0.0 111.273 178.739 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 112' ' ' GLY . . . . . 0.408 ' HA3' ' O ' ' B' ' 121' ' ' LYS . . . 156.25 -119.64 0.93 Allowed Glycine 0 CA--C 1.524 0.608 0 N-CA-C 111.266 -0.734 . . . . 0.0 111.266 -170.611 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 113' ' ' PHE . . . . . . . . . . . . . 55.7 m-85 -114.39 117.59 31.47 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.746 0.308 . . . . 0.0 111.241 162.976 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 114' ' ' ILE . . . . . 0.454 HG13 ' HB3' ' A' ' 107' ' ' ARG . 46.3 pt -104.92 170.24 2.06 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.374 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.256 172.481 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 115' ' ' SER . . . . . 0.407 ' O ' ' HA ' ' B' ' 118' ' ' PHE . 34.8 t -144.23 83.34 1.73 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.141 -0.482 . . . . 0.0 111.22 -176.955 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 116' ' ' ARG . . . . . 0.405 ' O ' ' HA ' ' A' ' 103' ' ' LYS . 90.5 mtm180 -72.14 135.05 46.07 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.321 -0.4 . . . . 0.0 111.306 -172.555 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 87.5 tt0 -144.23 135.49 25.52 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.209 171.357 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 118' ' ' PHE . . . . . 0.406 ' HA ' ' O ' ' B' ' 115' ' ' SER . 23.3 p90 -161.24 168.43 24.12 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.215 -174.99 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 119' ' ' HIS . . . . . 0.83 ' O ' ' ND1' ' A' ' 119' ' ' HIS . 18.0 p80 -143.26 81.51 1.71 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.248 174.953 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 120' ' ' ARG . . . . . 0.439 ' HA ' HG22 ' B' ' 114' ' ' ILE . 87.0 mtt-85 -68.15 93.81 0.47 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.227 -163.639 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 121' ' ' LYS . . . . . 0.409 ' O ' ' HA3' ' B' ' 112' ' ' GLY . 97.3 mttt -68.09 76.6 0.23 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.151 -179.532 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 122' ' ' TYR . . . . . 0.479 ' HB2' ' HB ' ' A' ' 98' ' ' ILE . 40.4 m-85 -59.49 106.86 0.5 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.16 174.461 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 123' ' ' ARG . . . . . . . . . . . . . 14.8 tpt180 -78.78 113.58 16.98 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.197 -167.974 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 124' ' ' ILE . . . . . . . . . . . . . 85.2 mt -71.15 121.16 83.4 Favored Pre-proline 0 C--N 1.33 -0.247 0 CA-C-N 116.11 -0.495 . . . . 0.0 111.168 -175.152 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 125' ' ' PRO . . . . . . . . . . . . . 78.6 Cg_exo -51.09 143.55 31.61 Favored 'Trans proline' 0 N--CA 1.458 -0.617 0 C-N-CA 121.646 1.564 . . . . 0.0 111.243 174.196 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . -62.49 -13.82 34.69 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.205 -176.047 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 127' ' ' ASP . . . . . . . . . . . . . 83.0 m-20 -99.25 13.93 31.34 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.257 -177.347 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 128' ' ' VAL . . . . . . . . . . . . . 82.4 t -121.63 133.86 66.76 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.241 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.226 -179.397 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 129' ' ' ASP . . . . . 0.417 ' HA ' ' HD2' ' A' ' 130' ' ' PRO . 64.0 t0 -84.02 119.37 73.3 Favored Pre-proline 0 C--N 1.33 -0.269 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.166 178.594 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 130' ' ' PRO . . . . . 0.417 ' HD2' ' HA ' ' A' ' 129' ' ' ASP . 46.8 Cg_endo -70.56 -14.23 33.38 Favored 'Trans proline' 0 N--CA 1.459 -0.545 0 C-N-CA 121.696 1.598 . . . . 0.0 111.208 -174.665 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 131' ' ' LEU . . . . . . . . . . . . . 95.9 mt -88.53 -1.48 58.08 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.223 -178.792 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 132' ' ' THR . . . . . . . . . . . . . 76.6 p -110.39 4.06 20.3 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.219 -178.73 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 133' ' ' ILE . . . . . 0.481 ' HA ' ' HA3' ' A' ' 147' ' ' GLY . 88.0 mt -95.09 121.84 46.02 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.276 -173.656 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 134' ' ' THR . . . . . . . . . . . . . 54.9 p -107.71 172.8 6.62 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.179 176.846 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 135' ' ' SER . . . . . . . . . . . . . 34.3 t -150.09 140.28 22.16 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.161 -177.816 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 136' ' ' SER . . . . . . . . . . . . . 89.9 p -148.61 156.36 42.31 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.331 -0.395 . . . . 0.0 111.186 179.106 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 137' ' ' LEU . . . . . . . . . . . . . 66.0 tp -134.27 119.35 18.62 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.237 -177.261 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 138' ' ' SER . . . . . . . . . . . . . 60.2 p -78.72 167.25 21.48 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 116.314 -0.403 . . . . 0.0 111.23 -178.99 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 139' ' ' SER . . . . . . . . . . . . . 86.2 p -70.11 -17.77 63.22 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.157 176.534 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 140' ' ' ASP . . . . . . . . . . . . . 93.4 m-20 -82.67 -10.3 58.99 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.201 176.988 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 141' ' ' GLY . . . . . . . . . . . . . . . 94.64 19.02 33.24 Favored Glycine 0 CA--C 1.524 0.615 0 N-CA-C 111.217 -0.753 . . . . 0.0 111.217 177.303 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 142' ' ' VAL . . . . . . . . . . . . . 68.2 t -84.44 101.77 9.45 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-O 120.7 0.286 . . . . 0.0 111.184 178.318 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 143' ' ' LEU . . . . . . . . . . . . . 60.1 tp -92.33 117.79 30.26 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.289 -0.414 . . . . 0.0 111.21 -179.363 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 144' ' ' THR . . . . . . . . . . . . . 98.8 m -121.84 126.9 49.83 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.13 -175.051 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 145' ' ' VAL . . . . . . . . . . . . . 48.4 t -128.15 121.62 56.28 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.211 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.186 177.301 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 146' ' ' ASP . . . . . . . . . . . . . 61.8 t0 -152.93 123.39 7.2 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.264 -162.808 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 147' ' ' GLY . . . . . 0.481 ' HA3' ' HA ' ' A' ' 133' ' ' ILE . . . -139.83 131.16 5.01 Favored Glycine 0 CA--C 1.524 0.606 0 N-CA-C 111.245 -0.742 . . . . 0.0 111.245 174.888 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 148' ' ' PRO . . . . . . . . . . . . . 73.9 Cg_exo -54.04 146.38 48.24 Favored 'Trans proline' 0 N--CA 1.458 -0.605 0 C-N-CA 121.687 1.591 . . . . 0.0 111.219 177.526 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 149' ' ' ARG . . . . . . . . . . . . . 82.0 mtp180 -57.65 165.17 1.73 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.156 -179.471 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 150' ' ' LYS . . . . . . . . . . . . . 57.5 pttt -69.88 -16.1 63.19 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.246 -178.116 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 151' ' ' GLN . . . . . . . . . . . . . 99.4 mm-40 -88.14 -4.88 58.69 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.167 179.963 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 152' ' ' VAL . . . . . . . . . . . . . 94.3 t . . . . . 0 C--O 1.221 -0.441 0 CA-C-O 117.93 -1.033 . . . . 0.0 111.33 179.78 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' B' B ' 64' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.524 0.616 0 N-CA-C 111.138 -0.785 . . . . 0.0 111.138 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' B' B ' 65' ' ' LEU . . . . . 0.451 ' HA ' ' HA ' ' B' ' 79' ' ' LEU . 7.1 mp -102.19 98.2 8.39 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-O 120.761 0.315 . . . . 0.0 111.196 -179.744 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 66' ' ' SER . . . . . . . . . . . . . 85.4 p -94.73 164.74 12.82 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.128 -175.486 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 67' ' ' GLU . . . . . . . . . . . . . 24.4 pm0 -84.75 173.8 10.4 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.236 178.166 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 68' ' ' MET . . . . . . . . . . . . . 63.0 mtm -70.21 149.52 47.4 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.242 -178.195 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 69' ' ' ARG . . . . . . . . . . . . . 79.7 ttt180 -125.04 97.08 5.1 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.271 -177.974 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 70' ' ' LEU . . . . . 0.494 ' C ' HD23 ' B' ' 70' ' ' LEU . 8.6 tt -96.68 106.14 18.36 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.06 176.102 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 71' ' ' GLU . . . . . 0.492 ' O ' ' C ' ' B' ' 72' ' ' LYS . 78.1 mm-40 -97.34 -177.22 3.75 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.257 -0.428 . . . . 0.0 111.176 176.707 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 72' ' ' LYS . . . . . 0.492 ' C ' ' O ' ' B' ' 71' ' ' GLU . 88.0 tttt -29.11 -57.36 0.14 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.147 -179.218 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 73' ' ' ASP . . . . . . . . . . . . . 52.6 p-10 -137.93 42.15 2.28 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.201 -177.581 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 74' ' ' ARG . . . . . . . . . . . . . 90.6 mmt-85 -137.24 171.15 14.91 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.089 -178.003 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 75' ' ' PHE . . . . . 0.531 ' O ' ' CD2' ' B' ' 75' ' ' PHE . 47.4 t80 -172.51 84.58 0.06 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.072 -0.513 . . . . 0.0 111.228 174.729 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 76' ' ' SER . . . . . . . . . . . . . 82.4 p -112.44 172.91 6.63 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.155 -175.976 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 77' ' ' VAL . . . . . . . . . . . . . 5.1 p -151.96 148.39 14.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.273 168.775 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 78' ' ' ASN . . . . . . . . . . . . . 57.6 t-20 -137.36 108.01 6.59 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.157 -178.315 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 79' ' ' LEU . . . . . 0.451 ' HA ' ' HA ' ' B' ' 65' ' ' LEU . 1.0 OUTLIER -131.47 152.94 50.27 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.145 -178.821 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' B' B ' 80' ' ' ASP . . . . . . . . . . . . . 65.4 t0 -99.51 119.34 37.87 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.196 -169.985 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 81' ' ' VAL . . . . . . . . . . . . . 17.8 m -131.63 43.79 0.59 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.39 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.176 174.256 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 82' ' ' LYS . . . . . . . . . . . . . 64.0 pttt -69.98 -18.91 63.36 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.197 -178.137 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 83' ' ' HIS . . . . . . . . . . . . . 96.4 m-70 -83.76 -7.47 59.46 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.173 178.219 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 84' ' ' PHE . . . . . . . . . . . . . 37.1 m-85 -106.14 170.92 7.63 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.145 -176.1 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 85' ' ' SER . . . . . . . . . . . . . 75.7 m -124.73 152.99 70.22 Favored Pre-proline 0 C--N 1.328 -0.333 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.218 -178.155 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 86' ' ' PRO . . . . . . . . . . . . . 75.1 Cg_exo -54.84 -26.83 50.0 Favored 'Trans proline' 0 N--CA 1.459 -0.528 0 C-N-CA 121.602 1.534 . . . . 0.0 111.178 177.408 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 87' ' ' GLU . . . . . . . . . . . . . 99.1 mt-10 -87.23 -25.11 24.15 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.259 176.992 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 88' ' ' GLU . . . . . . . . . . . . . 98.5 mt-10 -95.64 -7.38 37.75 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.234 -178.083 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 89' ' ' LEU . . . . . . . . . . . . . 2.0 pp -136.38 147.62 47.42 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.164 178.03 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 90' ' ' LYS . . . . . . . . . . . . . 83.8 tttt -152.97 119.17 5.5 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.142 176.494 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 91' ' ' VAL . . . . . . . . . . . . . 97.0 t -73.07 117.45 16.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.187 175.658 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 92' ' ' LYS . . . . . 0.415 ' HB2' ' HG3' ' B' ' 99' ' ' GLU . 99.2 mttt -123.71 174.68 7.32 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.24 -0.437 . . . . 0.0 111.296 179.325 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 93' ' ' VAL . . . . . . . . . . . . . 33.7 m -129.22 161.32 38.87 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.275 -0.42 . . . . 0.0 111.15 172.829 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 94' ' ' LEU . . . . . . . . . . . . . 22.0 tp -147.56 69.18 1.14 Allowed 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.142 174.118 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 95' ' ' GLY . . . . . . . . . . . . . . . 82.64 -104.29 2.51 Favored Glycine 0 CA--C 1.523 0.553 0 N-CA-C 111.196 -0.762 . . . . 0.0 111.196 -177.64 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 96' ' ' ASP . . . . . . . . . . . . . 84.9 m-20 -96.59 11.62 34.58 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-O 120.941 0.4 . . . . 0.0 111.206 -174.023 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 97' ' ' VAL . . . . . . . . . . . . . 28.8 m -126.8 161.33 33.66 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.222 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.222 178.592 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 98' ' ' ILE . . . . . 0.483 ' HB ' ' HB2' ' B' ' 122' ' ' TYR . 58.8 mt -119.03 68.47 0.29 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.193 173.82 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 99' ' ' GLU . . . . . 0.667 ' HG3' ' O ' ' B' ' 99' ' ' GLU . 21.8 pt-20 -54.92 100.88 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.246 -174.541 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 100' ' ' VAL . . . . . . . . . . . . . 72.4 t -78.05 94.44 1.51 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.369 0 CA-C-N 116.268 -0.423 . . . . 0.0 111.2 174.556 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 101' ' ' HIS . . . . . 0.458 ' HA ' ' HA ' ' B' ' 119' ' ' HIS . 9.2 t-160 -78.23 84.6 4.43 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.145 -173.406 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 102' ' ' GLY . . . . . . . . . . . . . . . -105.03 155.29 17.14 Favored Glycine 0 CA--C 1.523 0.536 0 N-CA-C 111.243 -0.743 . . . . 0.0 111.243 -179.297 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 103' ' ' LYS . . . . . 0.408 ' HA ' ' O ' ' B' ' 116' ' ' ARG . 64.6 pttt -166.88 127.64 1.59 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.812 0.339 . . . . 0.0 111.179 173.303 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 104' ' ' HIS . . . . . . . . . . . . . 23.0 t-160 -113.04 103.28 11.22 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.157 174.417 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 105' ' ' GLU . . . . . . . . . . . . . 90.9 mt-10 -91.53 154.94 18.75 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.303 -0.408 . . . . 0.0 111.237 -176.658 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 106' ' ' GLU . . . . . . . . . . . . . 94.8 mt-10 60.43 53.68 4.15 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.296 -0.411 . . . . 0.0 111.318 177.771 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 107' ' ' ARG . . . . . 0.454 ' HB3' HG13 ' B' ' 114' ' ' ILE . 49.5 ttt85 -106.65 108.4 19.88 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.196 -169.766 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 108' ' ' GLN . . . . . . . . . . . . . 69.6 tp60 -69.58 124.84 24.97 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.275 176.224 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 109' ' ' ASP . . . . . . . . . . . . . 58.1 p-10 -146.12 -167.48 2.74 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.173 177.471 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 110' ' ' GLU . . . . . . . . . . . . . 24.9 pm0 -66.42 -20.1 65.97 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.147 -177.067 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 111' ' ' HIS . . . . . 0.435 ' O ' ' HA ' ' A' ' 122' ' ' TYR . 56.8 m-70 -83.69 -42.53 16.51 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.275 -0.42 . . . . 0.0 111.23 178.771 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 112' ' ' GLY . . . . . 0.409 ' HA3' ' O ' ' A' ' 121' ' ' LYS . . . 156.28 -119.87 0.95 Allowed Glycine 0 CA--C 1.522 0.53 0 N-CA-C 111.164 -0.775 . . . . 0.0 111.164 -170.547 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 113' ' ' PHE . . . . . . . . . . . . . 55.3 m-85 -114.27 117.77 32.05 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-O 120.865 0.364 . . . . 0.0 111.145 162.934 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 114' ' ' ILE . . . . . 0.454 HG13 ' HB3' ' B' ' 107' ' ' ARG . 46.5 pt -105.03 170.22 2.08 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.202 172.421 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 115' ' ' SER . . . . . 0.406 ' O ' ' HA ' ' A' ' 118' ' ' PHE . 35.1 t -144.2 83.37 1.73 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.181 -177.034 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 116' ' ' ARG . . . . . 0.408 ' O ' ' HA ' ' B' ' 103' ' ' LYS . 90.5 mtm180 -71.97 135.09 46.31 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.31 -0.404 . . . . 0.0 111.332 -172.664 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 117' ' ' GLU . . . . . . . . . . . . . 87.5 tt0 -144.27 135.31 25.29 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.27 171.405 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 118' ' ' PHE . . . . . 0.407 ' HA ' ' O ' ' A' ' 115' ' ' SER . 23.5 p90 -161.15 168.39 24.36 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.208 -174.969 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 119' ' ' HIS . . . . . 0.834 ' O ' ' ND1' ' B' ' 119' ' ' HIS . 17.9 p80 -143.22 81.47 1.71 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.21 174.896 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 120' ' ' ARG . . . . . 0.448 ' HA ' HG22 ' A' ' 114' ' ' ILE . 87.0 mtt-85 -68.14 93.92 0.47 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.187 -163.638 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 121' ' ' LYS . . . . . 0.408 ' O ' ' HA3' ' A' ' 112' ' ' GLY . 97.3 mttt -68.04 76.53 0.23 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.163 -0.472 . . . . 0.0 111.188 -179.603 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 122' ' ' TYR . . . . . 0.483 ' HB2' ' HB ' ' B' ' 98' ' ' ILE . 40.5 m-85 -59.58 106.86 0.51 Allowed 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.233 174.488 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 123' ' ' ARG . . . . . . . . . . . . . 14.8 tpt180 -78.6 113.66 16.83 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.176 -167.953 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 124' ' ' ILE . . . . . . . . . . . . . 84.9 mt -71.3 121.05 83.16 Favored Pre-proline 0 C--N 1.327 -0.379 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.178 -175.2 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 125' ' ' PRO . . . . . . . . . . . . . 78.1 Cg_exo -50.96 143.44 30.79 Favored 'Trans proline' 0 C--N 1.327 -0.554 0 C-N-CA 121.772 1.648 . . . . 0.0 111.178 174.227 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 126' ' ' ALA . . . . . . . . . . . . . . . -62.6 -13.68 34.17 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.102 -176.034 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 127' ' ' ASP . . . . . . . . . . . . . 83.3 m-20 -99.3 13.92 31.41 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.216 -177.39 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 128' ' ' VAL . . . . . . . . . . . . . 82.6 t -121.57 133.8 66.9 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.174 -179.293 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 129' ' ' ASP . . . . . . . . . . . . . 64.0 t0 -83.94 119.33 73.3 Favored Pre-proline 0 C--N 1.328 -0.352 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.161 178.541 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 130' ' ' PRO . . . . . 0.427 ' HA ' HD12 ' B' ' 133' ' ' ILE . 47.3 Cg_endo -70.52 -14.37 33.61 Favored 'Trans proline' 0 N--CA 1.458 -0.598 0 C-N-CA 121.707 1.605 . . . . 0.0 111.27 -174.751 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 131' ' ' LEU . . . . . . . . . . . . . 95.7 mt -88.53 -1.23 57.94 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.258 -178.83 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 132' ' ' THR . . . . . . . . . . . . . 74.7 p -110.55 4.12 20.07 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.175 -178.796 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 133' ' ' ILE . . . . . 0.465 ' HA ' ' HA3' ' B' ' 147' ' ' GLY . 88.3 mt -95.17 121.89 46.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.223 -173.681 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 134' ' ' THR . . . . . . . . . . . . . 55.9 p -107.77 172.77 6.64 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.215 176.734 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 135' ' ' SER . . . . . . . . . . . . . 34.7 t -150.03 140.29 22.22 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.231 -177.797 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 136' ' ' SER . . . . . . . . . . . . . 89.0 p -148.53 156.24 42.18 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.277 -0.42 . . . . 0.0 111.202 179.173 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 137' ' ' LEU . . . . . . . . . . . . . 66.1 tp -134.22 119.46 18.81 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.257 -177.352 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 138' ' ' SER . . . . . . . . . . . . . 60.2 p -78.8 167.29 21.4 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.314 -0.403 . . . . 0.0 111.214 -178.88 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 139' ' ' SER . . . . . . . . . . . . . 86.6 p -70.16 -17.61 63.18 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.24 176.545 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 140' ' ' ASP . . . . . . . . . . . . . 93.4 m-20 -82.92 -10.12 58.97 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.174 177.046 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 141' ' ' GLY . . . . . . . . . . . . . . . 94.55 19.06 33.38 Favored Glycine 0 CA--C 1.522 0.479 0 N-CA-C 111.252 -0.739 . . . . 0.0 111.252 177.277 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 142' ' ' VAL . . . . . . . . . . . . . 67.9 t -84.48 101.68 9.37 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.23 0 CA-C-O 120.69 0.281 . . . . 0.0 111.172 178.328 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 143' ' ' LEU . . . . . . . . . . . . . 60.1 tp -92.3 117.72 30.17 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.23 -179.348 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 144' ' ' THR . . . . . . . . . . . . . 98.7 m -121.66 126.89 50.07 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.267 -175.058 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 145' ' ' VAL . . . . . . . . . . . . . 48.6 t -128.24 121.57 56.01 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 116.335 -0.393 . . . . 0.0 111.235 177.358 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 146' ' ' ASP . . . . . . . . . . . . . 61.8 t0 -153.0 123.37 7.15 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.297 -0.41 . . . . 0.0 111.279 -162.703 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 147' ' ' GLY . . . . . 0.465 ' HA3' ' HA ' ' B' ' 133' ' ' ILE . . . -139.82 131.22 5.04 Favored Glycine 0 CA--C 1.524 0.631 0 N-CA-C 111.189 -0.765 . . . . 0.0 111.189 174.982 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 148' ' ' PRO . . . . . . . . . . . . . 74.9 Cg_exo -54.23 146.35 50.38 Favored 'Trans proline' 0 N--CA 1.457 -0.627 0 C-N-CA 121.622 1.548 . . . . 0.0 111.172 177.614 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 149' ' ' ARG . . . . . . . . . . . . . 81.9 mtp180 -57.36 165.08 1.58 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.232 -179.571 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 150' ' ' LYS . . . . . . . . . . . . . 57.6 pttt -69.97 -15.98 63.12 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.268 -178.245 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 151' ' ' GLN . . . . . . . . . . . . . 99.4 mm-40 -88.07 -4.93 58.71 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.252 179.817 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 152' ' ' VAL . . . . . . . . . . . . . 94.0 t . . . . . 0 C--O 1.22 -0.486 0 CA-C-O 117.957 -1.021 . . . . 0.0 111.183 179.852 . . . . . . . . 0 0 . 1 stop_ save_